15-prop-1-en-2-yl-oxacyclopentadecan-2-one

C17H30O2 — CID 557450

IUPAC15-prop-1-en-2-yl-oxacyclopentadecan-2-one
SMILESC=C(C)C1CCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H30O2/c1-15(2)16-13-11-9-7-5-3-4-6-8-10-12-14-17(18)19-16/h16H,1,3-14H2,2H3
InChIKeyLZKCMQZQWVXJBH-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.17
Rot. Bonds1

About 15-prop-1-en-2-yl-oxacyclopentadecan-2-one

15-prop-1-en-2-yl-oxacyclopentadecan-2-one (PubChem CID 557450) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 15-prop-1-en-2-yl-oxacyclopentadecan-2-one.

Molecular Properties

Compound Name15-prop-1-en-2-yl-oxacyclopentadecan-2-one
PubChem CID557450
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name15-prop-1-en-2-yl-oxacyclopentadecan-2-one
SMILESC=C(C)C1CCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H30O2/c1-15(2)16-13-11-9-7-5-3-4-6-8-10-12-14-17(18)19-16/h16H,1,3-14H2,2H3
InChIKeyLZKCMQZQWVXJBH-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.17
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

Allyl 10-undecenoate
CID 61412
Octanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CID 6365696
Isopropyl undecylenate
CID 79578
Hexadecanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CID 11246350
Nonanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CID 6437207
Propenediester
CID 56599474
Heptanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CID 6450452
(E)-3,7-Dimethylocta-2,6-dien-1-yl tetradecanoate
CID 91694828
5-Butyl-3-methylideneoxolan-2-one
CID 10820778
Geranyl laurate
CID 6114709
(E)-3,7-Dimethyl-2,6-octadienyl decanoate
CID 15767023
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl decanoate
CID 56935986

Frequently Asked Questions

What is the IUPAC name of 15-prop-1-en-2-yl-oxacyclopentadecan-2-one?
The IUPAC name of 15-prop-1-en-2-yl-oxacyclopentadecan-2-one (CID 557450) is 15-prop-1-en-2-yl-oxacyclopentadecan-2-one.
What is the SMILES notation for 15-prop-1-en-2-yl-oxacyclopentadecan-2-one?
The canonical SMILES for 15-prop-1-en-2-yl-oxacyclopentadecan-2-one is C=C(C)C1CCCCCCCCCCCCC(=O)O1.
What is the InChIKey of 15-prop-1-en-2-yl-oxacyclopentadecan-2-one?
The InChIKey is LZKCMQZQWVXJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-15(2)16-13-11-9-7-5-3-4-6-8-10-12-14-17(18)19-16/h16H,1,3-14H2,2H3.
What are the key properties of 15-prop-1-en-2-yl-oxacyclopentadecan-2-one?
15-prop-1-en-2-yl-oxacyclopentadecan-2-one has a molecular weight of 266.42 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-prop-1-en-2-yl-oxacyclopentadecan-2-one is sourced from PubChem (CID 557450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).