(4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one

C17H28O2 — CID 20640365

IUPAC(4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one
SMILESCC1/C=C/CCCCC/C=C/C(C)CC(O)C(=O)C1
InChIInChI=1S/C17H28O2/c1-14-10-8-6-4-3-5-7-9-11-15(2)13-17(19)16(18)12-14/h8-11,14-16,18H,3-7,12-13H2,1-2H3/b10-8+,11-9+
InChIKeyVSRDCPRFCKLFDU-GFULKKFKSA-N
MW264.41 g/mol
LogP4.05
Rot. Bonds

About (4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one

(4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one (PubChem CID 20640365) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one.

Molecular Properties

Compound Name(4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one
PubChem CID20640365
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one
SMILESCC1/C=C/CCCCC/C=C/C(C)CC(O)C(=O)C1
InChIInChI=1S/C17H28O2/c1-14-10-8-6-4-3-5-7-9-11-15(2)13-17(19)16(18)12-14/h8-11,14-16,18H,3-7,12-13H2,1-2H3/b10-8+,11-9+
InChIKeyVSRDCPRFCKLFDU-GFULKKFKSA-N
XLogP4.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.05
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 (4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one?
The IUPAC name of (4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one (CID 20640365) is (4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one.
What is the SMILES notation for (4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one?
The canonical SMILES for (4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one is CC1/C=C/CCCCC/C=C/C(C)CC(O)C(=O)C1.
What is the InChIKey of (4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one?
The InChIKey is VSRDCPRFCKLFDU-GFULKKFKSA-N. The full InChI is InChI=1S/C17H28O2/c1-14-10-8-6-4-3-5-7-9-11-15(2)13-17(19)16(18)12-14/h8-11,14-16,18H,3-7,12-13H2,1-2H3/b10-8+,11-9+.
What are the key properties of (4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one?
(4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one has a molecular weight of 264.41 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one is sourced from PubChem (CID 20640365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).