(7-ethenyloxepan-2-yl)methanol

C9H16O2 — CID 14142040

IUPAC(7-ethenyloxepan-2-yl)methanol
SMILESC=CC1CCCCC(CO)O1
InChIInChI=1S/C9H16O2/c1-2-8-5-3-4-6-9(7-10)11-8/h2,8-10H,1,3-7H2
InChIKeyOWDZBNXSXFFKIZ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds2

About (7-ethenyloxepan-2-yl)methanol

(7-ethenyloxepan-2-yl)methanol (PubChem CID 14142040) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (7-ethenyloxepan-2-yl)methanol.

Molecular Properties

Compound Name(7-ethenyloxepan-2-yl)methanol
PubChem CID14142040
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(7-ethenyloxepan-2-yl)methanol
SMILESC=CC1CCCCC(CO)O1
InChIInChI=1S/C9H16O2/c1-2-8-5-3-4-6-9(7-10)11-8/h2,8-10H,1,3-7H2
InChIKeyOWDZBNXSXFFKIZ-UHFFFAOYSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
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 (7-ethenyloxepan-2-yl)methanol?
The IUPAC name of (7-ethenyloxepan-2-yl)methanol (CID 14142040) is (7-ethenyloxepan-2-yl)methanol.
What is the SMILES notation for (7-ethenyloxepan-2-yl)methanol?
The canonical SMILES for (7-ethenyloxepan-2-yl)methanol is C=CC1CCCCC(CO)O1.
What is the InChIKey of (7-ethenyloxepan-2-yl)methanol?
The InChIKey is OWDZBNXSXFFKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-8-5-3-4-6-9(7-10)11-8/h2,8-10H,1,3-7H2.
What are the key properties of (7-ethenyloxepan-2-yl)methanol?
(7-ethenyloxepan-2-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethenyloxepan-2-yl)methanol is sourced from PubChem (CID 14142040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).