6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol

C9H16O — CID 14688969

IUPAC6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol
SMILESCC12CCCC1CC(O)C2
InChIInChI=1S/C9H16O/c1-9-4-2-3-7(9)5-8(10)6-9/h7-8,10H,2-6H2,1H3
InChIKeyVBHSXTWZAOVGKW-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds

About 6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol

6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol (PubChem CID 14688969) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol.

Molecular Properties

Compound Name6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol
PubChem CID14688969
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol
SMILESCC12CCCC1CC(O)C2
InChIInChI=1S/C9H16O/c1-9-4-2-3-7(9)5-8(10)6-9/h7-8,10H,2-6H2,1H3
InChIKeyVBHSXTWZAOVGKW-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol?
The IUPAC name of 6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol (CID 14688969) is 6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol.
What is the SMILES notation for 6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol?
The canonical SMILES for 6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol is CC12CCCC1CC(O)C2.
What is the InChIKey of 6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol?
The InChIKey is VBHSXTWZAOVGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9-4-2-3-7(9)5-8(10)6-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol?
6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol is sourced from PubChem (CID 14688969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).