(4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one

C16H26O2 — CID 20640366

IUPAC(4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one
SMILESCC1CC/C=C/CCC(=O)C(O)CC/C=C/CC1
InChIInChI=1S/C16H26O2/c1-14-10-6-2-4-8-12-15(17)16(18)13-9-5-3-7-11-14/h2-5,14-15,17H,6-13H2,1H3/b4-2+,5-3+
InChIKeyRXBDRACJGLYQDA-ZUVMSYQZSA-N
MW250.38 g/mol
LogP3.80
Rot. Bonds

About (4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one

(4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one (PubChem CID 20640366) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one.

Molecular Properties

Compound Name(4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one
PubChem CID20640366
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one
SMILESCC1CC/C=C/CCC(=O)C(O)CC/C=C/CC1
InChIInChI=1S/C16H26O2/c1-14-10-6-2-4-8-12-15(17)16(18)13-9-5-3-7-11-14/h2-5,14-15,17H,6-13H2,1H3/b4-2+,5-3+
InChIKeyRXBDRACJGLYQDA-ZUVMSYQZSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.80
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-8-methylcyclopentadeca-4,11-dien-1-one?
The IUPAC name of (4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one (CID 20640366) is (4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one.
What is the SMILES notation for (4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one?
The canonical SMILES for (4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one is CC1CC/C=C/CCC(=O)C(O)CC/C=C/CC1.
What is the InChIKey of (4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one?
The InChIKey is RXBDRACJGLYQDA-ZUVMSYQZSA-N. The full InChI is InChI=1S/C16H26O2/c1-14-10-6-2-4-8-12-15(17)16(18)13-9-5-3-7-11-14/h2-5,14-15,17H,6-13H2,1H3/b4-2+,5-3+.
What are the key properties of (4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one?
(4E,11E)-15-hydroxy-8-methylcyclopentadeca-4,11-dien-1-one has a molecular weight of 250.38 g/mol, XLogP of 3.80, 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-8-methylcyclopentadeca-4,11-dien-1-one is sourced from PubChem (CID 20640366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).