1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene

C14H24 — CID 164599475

IUPAC1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
SMILESCC1CC(C)C2C1CC1CCCCC12
InChIInChI=1S/C14H24/c1-9-7-10(2)14-12-6-4-3-5-11(12)8-13(9)14/h9-14H,3-8H2,1-2H3
InChIKeyCJEVKYVCIIUISP-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.10
Rot. Bonds

About 1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene

1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene (PubChem CID 164599475) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene.

Molecular Properties

Compound Name1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
PubChem CID164599475
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
SMILESCC1CC(C)C2C1CC1CCCCC12
InChIInChI=1S/C14H24/c1-9-7-10(2)14-12-6-4-3-5-11(12)8-13(9)14/h9-14H,3-8H2,1-2H3
InChIKeyCJEVKYVCIIUISP-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene with MolForge

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Related Compounds

(2,4-dimethylcyclobutyl)cyclopentane
CID 76591276
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
1,3-dimethyl-2-(2-methylcyclopropyl)cyclobutane
CID 91132090
(2-methylcyclopropyl)cyclooctane
CID 19768877
tetracyclo[9.2.1.02,10.03,8]tetradecane
CID 6850833
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane
CID 58552161
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
1-methyl-4-[1-(1-methylcyclohexyl)ethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 139659082

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene?
The IUPAC name of 1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene (CID 164599475) is 1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene.
What is the SMILES notation for 1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene?
The canonical SMILES for 1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene is CC1CC(C)C2C1CC1CCCCC12.
What is the InChIKey of 1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene?
The InChIKey is CJEVKYVCIIUISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-9-7-10(2)14-12-6-4-3-5-11(12)8-13(9)14/h9-14H,3-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene?
1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene has a molecular weight of 192.35 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene is sourced from PubChem (CID 164599475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).