(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol

C20H34F2O — CID 145173377

IUPAC(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C20H34F2O/c1-8-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23/h13-16,23H,6-12H2,1-5H3/b20-19-
InChIKeyLDMCHIKSZJMJBG-VXPUYCOJSA-N
MW328.49 g/mol
LogP7.28
Rot. Bonds11

About (3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol

(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol (PubChem CID 145173377) has the molecular formula C20H34F2O and a molecular weight of 328.49 g/mol. Its IUPAC name is (3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol
PubChem CID145173377
Molecular FormulaC20H34F2O
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C20H34F2O/c1-8-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23/h13-16,23H,6-12H2,1-5H3/b20-19-
InChIKeyLDMCHIKSZJMJBG-VXPUYCOJSA-N
XLogP7.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.49
LogP ≤ 57.28
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'}

Analyze (3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol with MolForge

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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)-3,4-difluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-diene
CID 137398084
(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol
CID 138534857
(3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol
CID 142281703
(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-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene
CID 144723364
(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-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol
CID 145173376

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol?
The IUPAC name of (3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol (CID 145173377) is (3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol?
The canonical SMILES for (3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol is C=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)CC.
What is the InChIKey of (3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol?
The InChIKey is LDMCHIKSZJMJBG-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H34F2O/c1-8-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23/h13-16,23H,6-12H2,1-5H3/b20-19-.
What are the key properties of (3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol?
(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol has a molecular weight of 328.49 g/mol, XLogP of 7.28, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol is sourced from PubChem (CID 145173377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).