(E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one

C17H32O2 — CID 22814176

IUPAC(E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one
SMILESCCCCCC(=O)/C=C/C[C@H](C)CCCC(C)(C)O
InChIInChI=1S/C17H32O2/c1-5-6-7-12-16(18)13-8-10-15(2)11-9-14-17(3,4)19/h8,13,15,19H,5-7,9-12,14H2,1-4H3/b13-8+/t15-/m0/s1
InChIKeyHRMQHPFCMVUTNH-NRUITVPNSA-N
MW268.44 g/mol
LogP4.66
Rot. Bonds11

About (E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one

(E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one (PubChem CID 22814176) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one.

Molecular Properties

Compound Name(E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one
PubChem CID22814176
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one
SMILESCCCCCC(=O)/C=C/C[C@H](C)CCCC(C)(C)O
InChIInChI=1S/C17H32O2/c1-5-6-7-12-16(18)13-8-10-15(2)11-9-14-17(3,4)19/h8,13,15,19H,5-7,9-12,14H2,1-4H3/b13-8+/t15-/m0/s1
InChIKeyHRMQHPFCMVUTNH-NRUITVPNSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 46184405
12-Oxo-phytodienoic acid
CID 5280411
9s,13r-12-Oxophytodienoic Acid
CID 14037063
12-Oxophytodienoic acid
CID 10334541
dinor-12-oxo Phytodienoic Acid
CID 91746127
gamma-Tocopheryl quinone
CID 10320624
beta-Tocopheryl quinone
CID 12444428
12-Oxo-2,3-dinor-10,15-phytodienoic acid
CID 131751254
ficulinic acid A
CID 6438484
ficulinic acid B
CID 6438485
gamma-Tocopherylquinone
CID 58488759
2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-6-methylcyclohexa-2,5-diene-1,4-dione
CID 49765076

Frequently Asked Questions

What is the IUPAC name of (E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one?
The IUPAC name of (E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one (CID 22814176) is (E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one.
What is the SMILES notation for (E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one?
The canonical SMILES for (E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one is CCCCCC(=O)/C=C/C[C@H](C)CCCC(C)(C)O.
What is the InChIKey of (E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one?
The InChIKey is HRMQHPFCMVUTNH-NRUITVPNSA-N. The full InChI is InChI=1S/C17H32O2/c1-5-6-7-12-16(18)13-8-10-15(2)11-9-14-17(3,4)19/h8,13,15,19H,5-7,9-12,14H2,1-4H3/b13-8+/t15-/m0/s1.
What are the key properties of (E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one?
(E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one has a molecular weight of 268.44 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,10R)-14-hydroxy-10,14-dimethylpentadec-7-en-6-one is sourced from PubChem (CID 22814176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).