5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol

C9H12O — CID 585860

IUPAC5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol
SMILESC=C1CC2C=CC(O)C2C1
InChIInChI=1S/C9H12O/c1-6-4-7-2-3-9(10)8(7)5-6/h2-3,7-10H,1,4-5H2
InChIKeyZNQBCENKPMEACK-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.50
Rot. Bonds

About 5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol

5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol (PubChem CID 585860) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol.

Molecular Properties

Compound Name5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol
PubChem CID585860
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol
SMILESC=C1CC2C=CC(O)C2C1
InChIInChI=1S/C9H12O/c1-6-4-7-2-3-9(10)8(7)5-6/h2-3,7-10H,1,4-5H2
InChIKeyZNQBCENKPMEACK-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol?
The IUPAC name of 5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol (CID 585860) is 5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol.
What is the SMILES notation for 5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol?
The canonical SMILES for 5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol is C=C1CC2C=CC(O)C2C1.
What is the InChIKey of 5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol?
The InChIKey is ZNQBCENKPMEACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-6-4-7-2-3-9(10)8(7)5-6/h2-3,7-10H,1,4-5H2.
What are the key properties of 5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol?
5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol has a molecular weight of 136.19 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3a,4,6,6a-tetrahydro-1H-pentalen-1-ol is sourced from PubChem (CID 585860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).