7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene

C13H22 — CID 85195042

IUPAC7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
SMILESCC1(C)C2CCCC2C2CCCC21
InChIInChI=1S/C13H22/c1-13(2)11-7-3-5-9(11)10-6-4-8-12(10)13/h9-12H,3-8H2,1-2H3
InChIKeyFIMSBWJLDMMPIC-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.86
Rot. Bonds

About 7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene

7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene (PubChem CID 85195042) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene.

Molecular Properties

Compound Name7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
PubChem CID85195042
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
SMILESCC1(C)C2CCCC2C2CCCC21
InChIInChI=1S/C13H22/c1-13(2)11-7-3-5-9(11)10-6-4-8-12(10)13/h9-12H,3-8H2,1-2H3
InChIKeyFIMSBWJLDMMPIC-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-[3,5-bis(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)cyclohexyl]-9-ethyl-9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene?
The IUPAC name of 7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene (CID 85195042) is 7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene.
What is the SMILES notation for 7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene?
The canonical SMILES for 7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene is CC1(C)C2CCCC2C2CCCC21.
What is the InChIKey of 7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene?
The InChIKey is FIMSBWJLDMMPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-13(2)11-7-3-5-9(11)10-6-4-8-12(10)13/h9-12H,3-8H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene?
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene has a molecular weight of 178.32 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene is sourced from PubChem (CID 85195042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).