(1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane

C102H194 — CID 162105924

IUPAC(1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane
SMILESCC(C)C1CCCCCCC1.CC(C)C1CCCCCCCC1.CC(C)C1CCCCCCCCC1.CC(C)C1C[C@H]2CCCC[C@@H](C1)C2.CC(C)C1C[C@H]2CCC[C@@H](C1)C2.CC(C)CC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C.CC1C[C@@H]2CC(C(C)C)C[C@H](C1)C2.CCC1C[C@@H]2CC(C(C)C)C[C@H](C1)C2
InChIInChI=1S/2C14H26.2C13H24.C13H26.C12H22.C12H24.C11H22/c1-10(2)5-6-11-7-8-12-9-13(11)14(12,3)4;1-4-11-5-12-7-13(6-11)9-14(8-12)10(2)3;1-9(2)13-7-11-4-10(3)5-12(6-11)8-13;1-10(2)13-8-11-5-3-4-6-12(7-11)9-13;1-12(2)13-10-8-6-4-3-5-7-9-11-13;1-9(2)12-7-10-4-3-5-11(6-10)8-12;1-11(2)12-9-7-5-3-4-6-8-10-12;1-10(2)11-8-6-4-3-5-7-9-11/h10-13H,5-9H2,1-4H3;10-14H,4-9H2,1-3H3;9-13H,4-8H2,1-3H3;10-13H,3-9H2,1-2H3;12-13H,3-11H2,1-2H3;9-12H,3-8H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3/t11-,12+,13+;11?,12-,13+,14?;10?,11-,12+,13?;11-,12+,13?;;10-,11+,12?;;/m1......./s1
InChIKeyZFMWKPRKXCHTED-WAENTCACSA-N
MW1420.67 g/mol
LogP34.38
Rot. Bonds11

About (1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane

(1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane (PubChem CID 162105924) has the molecular formula C102H194 and a molecular weight of 1420.67 g/mol. Its IUPAC name is (1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane.

Molecular Properties

Compound Name(1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane
PubChem CID162105924
Molecular FormulaC102H194
Molecular Weight1420.67 g/mol
Exact Mass1419.52
IUPAC Name(1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane
SMILESCC(C)C1CCCCCCC1.CC(C)C1CCCCCCCC1.CC(C)C1CCCCCCCCC1.CC(C)C1C[C@H]2CCCC[C@@H](C1)C2.CC(C)C1C[C@H]2CCC[C@@H](C1)C2.CC(C)CC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C.CC1C[C@@H]2CC(C(C)C)C[C@H](C1)C2.CCC1C[C@@H]2CC(C(C)C)C[C@H](C1)C2
InChIInChI=1S/2C14H26.2C13H24.C13H26.C12H22.C12H24.C11H22/c1-10(2)5-6-11-7-8-12-9-13(11)14(12,3)4;1-4-11-5-12-7-13(6-11)9-14(8-12)10(2)3;1-9(2)13-7-11-4-10(3)5-12(6-11)8-13;1-10(2)13-8-11-5-3-4-6-12(7-11)9-13;1-12(2)13-10-8-6-4-3-5-7-9-11-13;1-9(2)12-7-10-4-3-5-11(6-10)8-12;1-11(2)12-9-7-5-3-4-6-8-10-12;1-10(2)11-8-6-4-3-5-7-9-11/h10-13H,5-9H2,1-4H3;10-14H,4-9H2,1-3H3;9-13H,4-8H2,1-3H3;10-13H,3-9H2,1-2H3;12-13H,3-11H2,1-2H3;9-12H,3-8H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3/t11-,12+,13+;11?,12-,13+,14?;10?,11-,12+,13?;11-,12+,13?;;10-,11+,12?;;/m1......./s1
InChIKeyZFMWKPRKXCHTED-WAENTCACSA-N
XLogP34.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001420.67
LogP ≤ 534.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane with MolForge

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Related Compounds

6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane
CID 159076202
3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane
CID 76732971
(5R)-3-ethylbicyclo[3.3.1]nonane
CID 59897306
2-[(2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 140535686
4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
CID 143714576
1-ethyl-3,5-di(propan-2-yl)cyclohexane
CID 90833557
(1S,2S,5S)-6,6-dimethyl-2-(propan-2-yloxymethyl)bicyclo[3.1.1]heptane
CID 176736548
cis-(1S,2R)-1-ethyl-4-methyl-2-(3-methylbutyl)cyclopentane
CID 143682309
4-(3-ethylcyclobutyl)-4-(3-methylcyclobutyl)-1,2,3,3a,5,6,7,8,9,9a-decahydrocyclopenta[8]annulene;propane
CID 144530805
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl-triethylazanium
CID 90645928
ethane;2-methylbutane;1-methyl-3-(3-methylpentyl)cyclobutane;propan-2-ylcyclobutane
CID 143682617

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane?
The IUPAC name of (1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane (CID 162105924) is (1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane.
What is the SMILES notation for (1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane?
The canonical SMILES for (1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane is CC(C)C1CCCCCCC1.CC(C)C1CCCCCCCC1.CC(C)C1CCCCCCCCC1.CC(C)C1C[C@H]2CCCC[C@@H](C1)C2.CC(C)C1C[C@H]2CCC[C@@H](C1)C2.CC(C)CC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C.CC1C[C@@H]2CC(C(C)C)C[C@H](C1)C2.CCC1C[C@@H]2CC(C(C)C)C[C@H](C1)C2.
What is the InChIKey of (1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane?
The InChIKey is ZFMWKPRKXCHTED-WAENTCACSA-N. The full InChI is InChI=1S/2C14H26.2C13H24.C13H26.C12H22.C12H24.C11H22/c1-10(2)5-6-11-7-8-12-9-13(11)14(12,3)4;1-4-11-5-12-7-13(6-11)9-14(8-12)10(2)3;1-9(2)13-7-11-4-10(3)5-12(6-11)8-13;1-10(2)13-8-11-5-3-4-6-12(7-11)9-13;1-12(2)13-10-8-6-4-3-5-7-9-11-13;1-9(2)12-7-10-4-3-5-11(6-10)8-12;1-11(2)12-9-7-5-3-4-6-8-10-12;1-10(2)11-8-6-4-3-5-7-9-11/h10-13H,5-9H2,1-4H3;10-14H,4-9H2,1-3H3;9-13H,4-8H2,1-3H3;10-13H,3-9H2,1-2H3;12-13H,3-11H2,1-2H3;9-12H,3-8H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3/t11-,12+,13+;11?,12-,13+,14?;10?,11-,12+,13?;11-,12+,13?;;10-,11+,12?;;/m1......./s1.
What are the key properties of (1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane?
(1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane has a molecular weight of 1420.67 g/mol, XLogP of 34.38, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane is sourced from PubChem (CID 162105924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).