(7R)-7-prop-2-enyloxepan-2-one

C9H14O2 — CID 12914542

IUPAC(7R)-7-prop-2-enyloxepan-2-one
SMILESC=CC[C@H]1CCCCC(=O)O1
InChIInChI=1S/C9H14O2/c1-2-5-8-6-3-4-7-9(10)11-8/h2,8H,1,3-7H2/t8-/m0/s1
InChIKeyMTXQFIBTASMPHS-QMMMGPOBSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About (7R)-7-prop-2-enyloxepan-2-one

(7R)-7-prop-2-enyloxepan-2-one (PubChem CID 12914542) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (7R)-7-prop-2-enyloxepan-2-one.

Molecular Properties

Compound Name(7R)-7-prop-2-enyloxepan-2-one
PubChem CID12914542
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(7R)-7-prop-2-enyloxepan-2-one
SMILESC=CC[C@H]1CCCCC(=O)O1
InChIInChI=1S/C9H14O2/c1-2-5-8-6-3-4-7-9(10)11-8/h2,8H,1,3-7H2/t8-/m0/s1
InChIKeyMTXQFIBTASMPHS-QMMMGPOBSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(iodomethyl)oxepan-2-one
CID 11807205
(9R)-9-ethyloxonan-2-one
CID 54340758
16-ethyl-oxacyclohexadecan-2-one
CID 71324140
13-propyl-oxacyclotridecan-2-one
CID 54410072
2-[(2R)-7-oxooxepan-2-yl]acetonitrile
CID 135058708
4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one
CID 174250176
(4-methoxyphenyl)methyl 6-hydroxynon-8-enoate;7-prop-2-enyloxepan-2-one
CID 163534361
(7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one
CID 87224940
10-(7-hydroxyheptyl)oxecan-2-one
CID 141387708
8-octyloxocan-2-one
CID 90108064
5-hex-5-enyloxolan-2-one
CID 15818771
3-prop-2-enylcycloheptan-1-one
CID 11378603

Frequently Asked Questions

What is the IUPAC name of (7R)-7-prop-2-enyloxepan-2-one?
The IUPAC name of (7R)-7-prop-2-enyloxepan-2-one (CID 12914542) is (7R)-7-prop-2-enyloxepan-2-one.
What is the SMILES notation for (7R)-7-prop-2-enyloxepan-2-one?
The canonical SMILES for (7R)-7-prop-2-enyloxepan-2-one is C=CC[C@H]1CCCCC(=O)O1.
What is the InChIKey of (7R)-7-prop-2-enyloxepan-2-one?
The InChIKey is MTXQFIBTASMPHS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-5-8-6-3-4-7-9(10)11-8/h2,8H,1,3-7H2/t8-/m0/s1.
What are the key properties of (7R)-7-prop-2-enyloxepan-2-one?
(7R)-7-prop-2-enyloxepan-2-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-prop-2-enyloxepan-2-one is sourced from PubChem (CID 12914542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).