4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane

C14H22 — CID 123608079

IUPAC4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane
SMILESCC1C2CC23CCC(C2(C)CC2)C13C
InChIInChI=1S/C14H22/c1-9-10-8-14(10)5-4-11(13(9,14)3)12(2)6-7-12/h9-11H,4-8H2,1-3H3
InChIKeyBJYRSMRTKKZGMX-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.86
Rot. Bonds1

About 4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane

4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane (PubChem CID 123608079) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane.

Molecular Properties

Compound Name4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane
PubChem CID123608079
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane
SMILESCC1C2CC23CCC(C2(C)CC2)C13C
InChIInChI=1S/C14H22/c1-9-10-8-14(10)5-4-11(13(9,14)3)12(2)6-7-12/h9-11H,4-8H2,1-3H3
InChIKeyBJYRSMRTKKZGMX-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis[(1S,2R,5S,7R,8R)-2-ethyl-6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undecanyl]methanone
CID 22841920
1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol
CID 163615364
(1S,2S,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane-2-carbaldehyde
CID 57060640
1,2-dimethylspiro[bicyclo[4.1.0]heptane-7,1'-cyclopropane]
CID 163587019
2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane
CID 123358979
(4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-yl)methanol
CID 163025213
(1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane]
CID 144681816
(3R,4R,4aS,6bR,8aR,12aR,14aS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-2,3-diol
CID 5320364
(3S,4R,4aS,6aR,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
CID 162967135
1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane
CID 123405539
2-cyclopentyl-5,8-dimethyltetracyclo[7.5.2.12,8.01,16]heptadecane
CID 163521532
1,2,6-trimethylspiro[2.4]heptane
CID 123183171

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane?
The IUPAC name of 4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane (CID 123608079) is 4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane.
What is the SMILES notation for 4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane?
The canonical SMILES for 4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane is CC1C2CC23CCC(C2(C)CC2)C13C.
What is the InChIKey of 4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane?
The InChIKey is BJYRSMRTKKZGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-9-10-8-14(10)5-4-11(13(9,14)3)12(2)6-7-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane?
4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane has a molecular weight of 190.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane is sourced from PubChem (CID 123608079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).