3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene

C10H18 — CID 86088188

IUPAC3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene
SMILESCC12CCCC1(C)CCC2
InChIInChI=1S/C10H18/c1-9-5-3-7-10(9,2)8-4-6-9/h3-8H2,1-2H3
InChIKeyGAMUCPYVMYPJEC-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.37
Rot. Bonds

About 3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene

3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene (PubChem CID 86088188) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene.

Molecular Properties

Compound Name3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene
PubChem CID86088188
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene
SMILESCC12CCCC1(C)CCC2
InChIInChI=1S/C10H18/c1-9-5-3-7-10(9,2)8-4-6-9/h3-8H2,1-2H3
InChIKeyGAMUCPYVMYPJEC-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene?
The IUPAC name of 3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene (CID 86088188) is 3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene.
What is the SMILES notation for 3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene?
The canonical SMILES for 3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene is CC12CCCC1(C)CCC2.
What is the InChIKey of 3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene?
The InChIKey is GAMUCPYVMYPJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-9-5-3-7-10(9,2)8-4-6-9/h3-8H2,1-2H3.
What are the key properties of 3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene?
3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene has a molecular weight of 138.25 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalene is sourced from PubChem (CID 86088188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).