(7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol

C15H23F3O — CID 143267823

IUPAC(7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol
SMILESC=C/C=C(C(=C/C)\CC(O)CCC(C)C)/C(F)(F)F
InChIInChI=1S/C15H23F3O/c1-5-7-14(15(16,17)18)12(6-2)10-13(19)9-8-11(3)4/h5-7,11,13,19H,1,8-10H2,2-4H3/b12-6-,14-7+
InChIKeyDRHQBHMRVNFKOA-GQUDHXATSA-N
MW276.34 g/mol
LogP4.79
Rot. Bonds7

About (7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol

(7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol (PubChem CID 143267823) has the molecular formula C15H23F3O and a molecular weight of 276.34 g/mol. Its IUPAC name is (7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol.

Molecular Properties

Compound Name(7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol
PubChem CID143267823
Molecular FormulaC15H23F3O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name(7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol
SMILESC=C/C=C(C(=C/C)\CC(O)CCC(C)C)/C(F)(F)F
InChIInChI=1S/C15H23F3O/c1-5-7-14(15(16,17)18)12(6-2)10-13(19)9-8-11(3)4/h5-7,11,13,19H,1,8-10H2,2-4H3/b12-6-,14-7+
InChIKeyDRHQBHMRVNFKOA-GQUDHXATSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol
CID 165415816
(e)-4,6,8-Trimethyl-7,9-undecadien-5-ol
CID 14728443
1-(3,5-Difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol
CID 70970332
(2S)-1-(3,5-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
CID 71163602
1,1-Difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol
CID 71163604
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol
CID 71163686
1-(3,4-Difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
CID 71163702
(2S)-1-cyclohexa-2,4-dien-1-yl-1,1-difluoropentan-2-ol
CID 71163756
1-(2,5-Difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
CID 71163772
[3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol
CID 88884757
1-(4-Fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
CID 89328552
(1S,2R,3Z,12E,14R)-14-(hydroxymethyl)-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol
CID 89835387

Frequently Asked Questions

What is the IUPAC name of (7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol?
The IUPAC name of (7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol (CID 143267823) is (7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol.
What is the SMILES notation for (7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol?
The canonical SMILES for (7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol is C=C/C=C(C(=C/C)\CC(O)CCC(C)C)/C(F)(F)F.
What is the InChIKey of (7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol?
The InChIKey is DRHQBHMRVNFKOA-GQUDHXATSA-N. The full InChI is InChI=1S/C15H23F3O/c1-5-7-14(15(16,17)18)12(6-2)10-13(19)9-8-11(3)4/h5-7,11,13,19H,1,8-10H2,2-4H3/b12-6-,14-7+.
What are the key properties of (7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol?
(7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol has a molecular weight of 276.34 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol is sourced from PubChem (CID 143267823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).