(2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one

C20H32O2 — CID 162977450

IUPAC(2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one
SMILESC/C1=C/C(=O)C[C@H](C)CC/C(C(C)(C)O)=C\C=C(/C)CCC1
InChIInChI=1S/C20H32O2/c1-15-7-6-8-16(2)13-19(21)14-17(3)10-12-18(11-9-15)20(4,5)22/h9,11,13,17,22H,6-8,10,12,14H2,1-5H3/b15-9+,16-13-,18-11+/t17-/m1/s1
InChIKeyGHADJBJUJGZEFC-YQEWGGNDSA-N
MW304.47 g/mol
LogP5.14
Rot. Bonds1

About (2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one

(2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one (PubChem CID 162977450) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one.

Molecular Properties

Compound Name(2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one
PubChem CID162977450
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one
SMILESC/C1=C/C(=O)C[C@H](C)CC/C(C(C)(C)O)=C\C=C(/C)CCC1
InChIInChI=1S/C20H32O2/c1-15-7-6-8-16(2)13-19(21)14-17(3)10-12-18(11-9-15)20(4,5)22/h9,11,13,17,22H,6-8,10,12,14H2,1-5H3/b15-9+,16-13-,18-11+/t17-/m1/s1
InChIKeyGHADJBJUJGZEFC-YQEWGGNDSA-N
XLogP5.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vatiquinone
CID 46184405
gamma-Tocopheryl quinone
CID 10320624
beta-Tocopheryl quinone
CID 12444428
gamma-Tocopherylquinone
CID 58488759
3-Hydroxybisabola-1,10-dien-9-one
CID 14633004
2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-6-methylcyclohexa-2,5-diene-1,4-dione
CID 49765076
(4S)-4-hydroxy-4-methyl-2-[(3R)-2-methyl-6-oxoheptan-3-yl]cyclohex-2-en-1-one
CID 21580967
Grandilobatin C
CID 24899406
Grandilobatin D
CID 44585760
3-Hydroxy-1,10-bisaboladien-9-one
CID 14633003
Kagimminol A
CID 171037998
Grandilobatin E
CID 44585761

Frequently Asked Questions

What is the IUPAC name of (2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one?
The IUPAC name of (2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one (CID 162977450) is (2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one.
What is the SMILES notation for (2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one?
The canonical SMILES for (2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one is C/C1=C/C(=O)C[C@H](C)CC/C(C(C)(C)O)=C\C=C(/C)CCC1.
What is the InChIKey of (2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one?
The InChIKey is GHADJBJUJGZEFC-YQEWGGNDSA-N. The full InChI is InChI=1S/C20H32O2/c1-15-7-6-8-16(2)13-19(21)14-17(3)10-12-18(11-9-15)20(4,5)22/h9,11,13,17,22H,6-8,10,12,14H2,1-5H3/b15-9+,16-13-,18-11+/t17-/m1/s1.
What are the key properties of (2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one?
(2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one has a molecular weight of 304.47 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one is sourced from PubChem (CID 162977450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).