5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol

C9H14O — CID 151097009

IUPAC5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol
SMILESC=C1CC2CCCC2(O)C1
InChIInChI=1S/C9H14O/c1-7-5-8-3-2-4-9(8,10)6-7/h8,10H,1-6H2
InChIKeyMNIAFJJPAAHXBR-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.87
Rot. Bonds

About 5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol

5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol (PubChem CID 151097009) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol.

Molecular Properties

Compound Name5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol
PubChem CID151097009
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol
SMILESC=C1CC2CCCC2(O)C1
InChIInChI=1S/C9H14O/c1-7-5-8-3-2-4-9(8,10)6-7/h8,10H,1-6H2
InChIKeyMNIAFJJPAAHXBR-UHFFFAOYSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3aS,3bR,6aR,7aS)-5-methylidene-2,3,3a,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-3b-ol
CID 11116622
trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol
CID 102075952
(3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol
CID 134975636
trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol
CID 178185706
Bicyclo[3.3.0]octan-2-ol, 7-methylene-
CID 556441
1-Methyl-2-(2-methylprop-2-enyl)cyclopentan-1-ol
CID 118117154
(3aR,3bS,6aS,7aR)-5-methylidene-2,3,3a,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-3b-ol
CID 101034344
(1R,3aS,6aS)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 130762449

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol?
The IUPAC name of 5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol (CID 151097009) is 5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol.
What is the SMILES notation for 5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol?
The canonical SMILES for 5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol is C=C1CC2CCCC2(O)C1.
What is the InChIKey of 5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol?
The InChIKey is MNIAFJJPAAHXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7-5-8-3-2-4-9(8,10)6-7/h8,10H,1-6H2.
What are the key properties of 5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol?
5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol has a molecular weight of 138.21 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,2,3,4,6,6a-hexahydropentalen-3a-ol is sourced from PubChem (CID 151097009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).