(7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol

C14H21F3O — CID 143267835

IUPAC(7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol
SMILESC=C/C(=C\C(=C/C)CC(O)CCCC)C(F)(F)F
InChIInChI=1S/C14H21F3O/c1-4-7-8-13(18)10-11(5-2)9-12(6-3)14(15,16)17/h5-6,9,13,18H,3-4,7-8,10H2,1-2H3/b11-5+,12-9+
InChIKeyUKVLPIKFFZYMRG-HQOQYNLBSA-N
MW262.31 g/mol
LogP4.55
Rot. Bonds7

About (7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol

(7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol (PubChem CID 143267835) has the molecular formula C14H21F3O and a molecular weight of 262.31 g/mol. Its IUPAC name is (7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol.

Molecular Properties

Compound Name(7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol
PubChem CID143267835
Molecular FormulaC14H21F3O
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name(7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol
SMILESC=C/C(=C\C(=C/C)CC(O)CCCC)C(F)(F)F
InChIInChI=1S/C14H21F3O/c1-4-7-8-13(18)10-11(5-2)9-12(6-3)14(15,16)17/h5-6,9,13,18H,3-4,7-8,10H2,1-2H3/b11-5+,12-9+
InChIKeyUKVLPIKFFZYMRG-HQOQYNLBSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.55
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

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(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol
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icosane-5,11-diol
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icosane-5,10-diol
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Frequently Asked Questions

What is the IUPAC name of (7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol?
The IUPAC name of (7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol (CID 143267835) is (7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol.
What is the SMILES notation for (7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol?
The canonical SMILES for (7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol is C=C/C(=C\C(=C/C)CC(O)CCCC)C(F)(F)F.
What is the InChIKey of (7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol?
The InChIKey is UKVLPIKFFZYMRG-HQOQYNLBSA-N. The full InChI is InChI=1S/C14H21F3O/c1-4-7-8-13(18)10-11(5-2)9-12(6-3)14(15,16)17/h5-6,9,13,18H,3-4,7-8,10H2,1-2H3/b11-5+,12-9+.
What are the key properties of (7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol?
(7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol has a molecular weight of 262.31 g/mol, XLogP of 4.55, 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-9-(trifluoromethyl)undeca-8,10-dien-5-ol is sourced from PubChem (CID 143267835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).