(6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one

C17H30O2 — CID 58282920

IUPAC(6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one
SMILESCCCCC/C=C\CC/C=C/C(=O)CCC(C)(C)O
InChIInChI=1S/C17H30O2/c1-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17(2,3)19/h8-9,12-13,19H,4-7,10-11,14-15H2,1-3H3/b9-8-,13-12+
InChIKeyORULAPNTNQOSFL-YILALFFRSA-N
MW266.42 g/mol
LogP4.58
Rot. Bonds11

About (6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one

(6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one (PubChem CID 58282920) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one.

Molecular Properties

Compound Name(6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one
PubChem CID58282920
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one
SMILESCCCCC/C=C\CC/C=C/C(=O)CCC(C)(C)O
InChIInChI=1S/C17H30O2/c1-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17(2,3)19/h8-9,12-13,19H,4-7,10-11,14-15H2,1-3H3/b9-8-,13-12+
InChIKeyORULAPNTNQOSFL-YILALFFRSA-N
XLogP4.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one with MolForge

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Launch Full Analysis

Related Compounds

4-Hydroxy-4-methylcyclohex-2-en-1-one
CID 155465
(4R)-4-hydroxy-4-methylcyclohex-2-en-1-one
CID 11126263
(6E,10Z,12E,14E)-2-hydroxy-2-methylhexadeca-6,10,12,14-tetraen-5-one
CID 58282919
(E)-2-hydroxy-2-methylhexadec-6-en-5-one
CID 58282921
(6E,11E,13E,15E)-2-hydroxy-2-methylheptadeca-6,11,13,15-tetraen-5-one
CID 89096192
(4S)-4-hydroxy-4-methylcyclohex-2-en-1-one
CID 124307432
(3E)-7-hydroxy-7-methylnona-1,3-dien-5-one
CID 130455903
(E)-5-tert-butyl-7-hydroxy-7-methyloct-2-en-4-one
CID 143052747
Ethane;4-hydroxy-4-methylcyclohex-2-en-1-one
CID 143349671
4-Hydroxy-4-(3-oxobut-1-enyl)cyclohex-2-en-1-one
CID 157729702
(6E,10E,12E,14E)-2-hydroxy-2-methylhexadeca-6,10,12,14-tetraen-5-one
CID 158990108
(6E,8E,12Z,14E,16E)-2-hydroxy-2-methyloctadeca-6,8,12,14,16-pentaen-5-one
CID 167558138

Frequently Asked Questions

What is the IUPAC name of (6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one?
The IUPAC name of (6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one (CID 58282920) is (6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one.
What is the SMILES notation for (6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one?
The canonical SMILES for (6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one is CCCCC/C=C\CC/C=C/C(=O)CCC(C)(C)O.
What is the InChIKey of (6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one?
The InChIKey is ORULAPNTNQOSFL-YILALFFRSA-N. The full InChI is InChI=1S/C17H30O2/c1-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17(2,3)19/h8-9,12-13,19H,4-7,10-11,14-15H2,1-3H3/b9-8-,13-12+.
What are the key properties of (6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one?
(6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one has a molecular weight of 266.42 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one is sourced from PubChem (CID 58282920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).