(3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol

C20H30F2O — CID 144714611

IUPAC(3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol
SMILESC=C(O)/C(F)=C(\F)C(=C)/C(C)=C/C=C(\C)C(C)CCC(C)CC
InChIInChI=1S/C20H30F2O/c1-8-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23/h11-14,23H,6-10H2,1-5H3/b15-11+,16-12+,20-19-
InChIKeyFSWWXRQPMSPJBF-SZZVFWKHSA-N
MW324.46 g/mol
LogP7.12
Rot. Bonds9

About (3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol

(3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol (PubChem CID 144714611) has the molecular formula C20H30F2O and a molecular weight of 324.46 g/mol. Its IUPAC name is (3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol.

Molecular Properties

Compound Name(3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol
PubChem CID144714611
Molecular FormulaC20H30F2O
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name(3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol
SMILESC=C(O)/C(F)=C(\F)C(=C)/C(C)=C/C=C(\C)C(C)CCC(C)CC
InChIInChI=1S/C20H30F2O/c1-8-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23/h11-14,23H,6-10H2,1-5H3/b15-11+,16-12+,20-19-
InChIKeyFSWWXRQPMSPJBF-SZZVFWKHSA-N
XLogP7.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 57.12
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,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol with MolForge

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Related Compounds

(2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol
CID 90164989
16,16,16-Trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol
CID 123715291
(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,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol
CID 142281703
(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol
CID 142318716
(3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
CID 142363335
Difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol
CID 143238985
(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

Frequently Asked Questions

What is the IUPAC name of (3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol?
The IUPAC name of (3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol (CID 144714611) is (3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol.
What is the SMILES notation for (3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol?
The canonical SMILES for (3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol is C=C(O)/C(F)=C(\F)C(=C)/C(C)=C/C=C(\C)C(C)CCC(C)CC.
What is the InChIKey of (3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol?
The InChIKey is FSWWXRQPMSPJBF-SZZVFWKHSA-N. The full InChI is InChI=1S/C20H30F2O/c1-8-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23/h11-14,23H,6-10H2,1-5H3/b15-11+,16-12+,20-19-.
What are the key properties of (3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol?
(3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol has a molecular weight of 324.46 g/mol, XLogP of 7.12, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol is sourced from PubChem (CID 144714611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).