7-methyl-7-prop-2-enyloxepan-2-one

C10H16O2 — CID 86016480

IUPAC7-methyl-7-prop-2-enyloxepan-2-one
SMILESC=CCC1(C)CCCCC(=O)O1
InChIInChI=1S/C10H16O2/c1-3-7-10(2)8-5-4-6-9(11)12-10/h3H,1,4-8H2,2H3
InChIKeyNOKYJYOHBZTYHA-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds2

About 7-methyl-7-prop-2-enyloxepan-2-one

7-methyl-7-prop-2-enyloxepan-2-one (PubChem CID 86016480) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 7-methyl-7-prop-2-enyloxepan-2-one.

Molecular Properties

Compound Name7-methyl-7-prop-2-enyloxepan-2-one
PubChem CID86016480
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name7-methyl-7-prop-2-enyloxepan-2-one
SMILESC=CCC1(C)CCCCC(=O)O1
InChIInChI=1S/C10H16O2/c1-3-7-10(2)8-5-4-6-9(11)12-10/h3H,1,4-8H2,2H3
InChIKeyNOKYJYOHBZTYHA-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
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-methyl-7-prop-2-enyloxepan-2-one?
The IUPAC name of 7-methyl-7-prop-2-enyloxepan-2-one (CID 86016480) is 7-methyl-7-prop-2-enyloxepan-2-one.
What is the SMILES notation for 7-methyl-7-prop-2-enyloxepan-2-one?
The canonical SMILES for 7-methyl-7-prop-2-enyloxepan-2-one is C=CCC1(C)CCCCC(=O)O1.
What is the InChIKey of 7-methyl-7-prop-2-enyloxepan-2-one?
The InChIKey is NOKYJYOHBZTYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-7-10(2)8-5-4-6-9(11)12-10/h3H,1,4-8H2,2H3.
What are the key properties of 7-methyl-7-prop-2-enyloxepan-2-one?
7-methyl-7-prop-2-enyloxepan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-prop-2-enyloxepan-2-one is sourced from PubChem (CID 86016480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).