2-methylidenecyclooctane-1,3-diol

C9H16O2 — CID 130147976

IUPAC2-methylidenecyclooctane-1,3-diol
SMILESC=C1C(O)CCCCCC1O
InChIInChI=1S/C9H16O2/c1-7-8(10)5-3-2-4-6-9(7)11/h8-11H,1-6H2
InChIKeyLCVILHKAQDDUTJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.23
Rot. Bonds

About 2-methylidenecyclooctane-1,3-diol

2-methylidenecyclooctane-1,3-diol (PubChem CID 130147976) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methylidenecyclooctane-1,3-diol.

Molecular Properties

Compound Name2-methylidenecyclooctane-1,3-diol
PubChem CID130147976
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methylidenecyclooctane-1,3-diol
SMILESC=C1C(O)CCCCCC1O
InChIInChI=1S/C9H16O2/c1-7-8(10)5-3-2-4-6-9(7)11/h8-11H,1-6H2
InChIKeyLCVILHKAQDDUTJ-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methylidenecyclooctane-1,3-diol?
The IUPAC name of 2-methylidenecyclooctane-1,3-diol (CID 130147976) is 2-methylidenecyclooctane-1,3-diol.
What is the SMILES notation for 2-methylidenecyclooctane-1,3-diol?
The canonical SMILES for 2-methylidenecyclooctane-1,3-diol is C=C1C(O)CCCCCC1O.
What is the InChIKey of 2-methylidenecyclooctane-1,3-diol?
The InChIKey is LCVILHKAQDDUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-8(10)5-3-2-4-6-9(7)11/h8-11H,1-6H2.
What are the key properties of 2-methylidenecyclooctane-1,3-diol?
2-methylidenecyclooctane-1,3-diol has a molecular weight of 156.22 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenecyclooctane-1,3-diol is sourced from PubChem (CID 130147976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).