1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane

C25H46 — CID 143343476

IUPAC1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane
SMILESCC(C)C1CC2C(C)CCC12.CC(C)C1CCCC2C(C)CC(C)C12
InChIInChI=1S/C14H26.C11H20/c1-9(2)12-6-5-7-13-10(3)8-11(4)14(12)13;1-7(2)10-6-11-8(3)4-5-9(10)11/h9-14H,5-8H2,1-4H3;7-11H,4-6H2,1-3H3
InChIKeyOQUFVSKEBYGNEJ-UHFFFAOYSA-N
MW346.64 g/mol
LogP7.68
Rot. Bonds2

About 1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane

1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane (PubChem CID 143343476) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is 1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane
PubChem CID143343476
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane
SMILESCC(C)C1CC2C(C)CCC12.CC(C)C1CCCC2C(C)CC(C)C12
InChIInChI=1S/C14H26.C11H20/c1-9(2)12-6-5-7-13-10(3)8-11(4)14(12)13;1-7(2)10-6-11-8(3)4-5-9(10)11/h9-14H,5-8H2,1-4H3;7-11H,4-6H2,1-3H3
InChIKeyOQUFVSKEBYGNEJ-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane with MolForge

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Related Compounds

(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
CID 143658128
2,4-dimethyl-1-(2-propan-2-ylcyclopropyl)cyclohexane
CID 123402643
1,6,12,17-tetramethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 54386757
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
7-methyltricyclo[4.3.0.02,9]nonane
CID 152833936
1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 153382401
(4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 162070754
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 153428714
4-(2-fluorocyclopentyl)-1-methyl-2-propan-2-ylcyclopentane
CID 170059975
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane?
The IUPAC name of 1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane (CID 143343476) is 1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane.
What is the SMILES notation for 1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane?
The canonical SMILES for 1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane is CC(C)C1CC2C(C)CCC12.CC(C)C1CCCC2C(C)CC(C)C12.
What is the InChIKey of 1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane?
The InChIKey is OQUFVSKEBYGNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.C11H20/c1-9(2)12-6-5-7-13-10(3)8-11(4)14(12)13;1-7(2)10-6-11-8(3)4-5-9(10)11/h9-14H,5-8H2,1-4H3;7-11H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane?
1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane has a molecular weight of 346.64 g/mol, XLogP of 7.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane is sourced from PubChem (CID 143343476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).