(3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol

C18H30F2O — CID 145173376

IUPAC(3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCCC
InChIInChI=1S/C18H30F2O/c1-7-8-9-12(2)13(3)10-11-14(4)15(5)17(19)18(20)16(6)21/h12-14,21H,5-11H2,1-4H3/b18-17-
InChIKeyQYQDXWFRPXSLAI-ZCXUNETKSA-N
MW300.43 g/mol
LogP6.64
Rot. Bonds10

About (3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol

(3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol (PubChem CID 145173376) has the molecular formula C18H30F2O and a molecular weight of 300.43 g/mol. Its IUPAC name is (3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol
PubChem CID145173376
Molecular FormulaC18H30F2O
Molecular Weight300.43 g/mol
Exact Mass300.23
IUPAC Name(3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCCC
InChIInChI=1S/C18H30F2O/c1-7-8-9-12(2)13(3)10-11-14(4)15(5)17(19)18(20)16(6)21/h12-14,21H,5-11H2,1-4H3/b18-17-
InChIKeyQYQDXWFRPXSLAI-ZCXUNETKSA-N
XLogP6.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E)-10,10,10-trifluoro-8-methyl-6-(3-methylbutyl)deca-1,3,5-trien-3-ol
CID 132002216
(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol
CID 138534857
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylidenedeca-1,3-dien-2-ol
CID 143777055
(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-dien-2-ol
CID 143777056
(3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
CID 143908759
(3E,7Z)-3-fluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
CID 144055817
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
CID 144733838
(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol
CID 145079834
(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol
CID 145173377
(3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol
CID 156558712
(4S)-6-fluoro-5-methyl-4-(4-methylcyclohexen-1-yl)cyclohexa-1,5-dien-1-ol
CID 163479826
(3E,5E,7E)-3-cyclooctyl-10-fluorodeca-3,5,7-trien-5-ol
CID 173876388

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol?
The IUPAC name of (3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol (CID 145173376) is (3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol?
The canonical SMILES for (3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol is C=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCCC.
What is the InChIKey of (3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol?
The InChIKey is QYQDXWFRPXSLAI-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H30F2O/c1-7-8-9-12(2)13(3)10-11-14(4)15(5)17(19)18(20)16(6)21/h12-14,21H,5-11H2,1-4H3/b18-17-.
What are the key properties of (3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol?
(3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol has a molecular weight of 300.43 g/mol, XLogP of 6.64, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol is sourced from PubChem (CID 145173376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).