(3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol

C26H41FO — CID 142281394

IUPAC(3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C26H41FO/c1-10-18(2)11-12-19(3)20(4)13-14-22(6)25(9)26(27)17-23(7)21(5)15-16-24(8)28/h15-20,22,28H,5,7-14H2,1-4,6H3/b16-15-,26-17+
InChIKeyPQZXRAQHYMEGCX-XPQWAQASSA-N
MW388.61 g/mol
LogP8.65
Rot. Bonds14

About (3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol

(3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol (PubChem CID 142281394) has the molecular formula C26H41FO and a molecular weight of 388.61 g/mol. Its IUPAC name is (3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol.

Molecular Properties

Compound Name(3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol
PubChem CID142281394
Molecular FormulaC26H41FO
Molecular Weight388.61 g/mol
Exact Mass388.31
IUPAC Name(3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C26H41FO/c1-10-18(2)11-12-19(3)20(4)13-14-22(6)25(9)26(27)17-23(7)21(5)15-16-24(8)28/h15-20,22,28H,5,7-14H2,1-4,6H3/b16-15-,26-17+
InChIKeyPQZXRAQHYMEGCX-XPQWAQASSA-N
XLogP8.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.61
LogP ≤ 58.65
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,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol
CID 145234988
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190
(Z)-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene
CID 144714644
(3Z,7Z,11E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11-tetraene
CID 143773158
(4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene
CID 145235202
(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875384
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143777022
3,6,7,10-tetramethyldodecanoic acid
CID 142282769
[(2E,6E)-2-but-1-en-2-yl-6-fluoro-9,12-dimethyl-4,5,8-trimethylidenetetradeca-2,6-dienyl] acetate
CID 145122796
(3Z,7E)-7-fluoro-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 145234991
prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875383

Frequently Asked Questions

What is the IUPAC name of (3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol?
The IUPAC name of (3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol (CID 142281394) is (3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol.
What is the SMILES notation for (3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol?
The canonical SMILES for (3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol is C=C(O)/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)CC.
What is the InChIKey of (3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol?
The InChIKey is PQZXRAQHYMEGCX-XPQWAQASSA-N. The full InChI is InChI=1S/C26H41FO/c1-10-18(2)11-12-19(3)20(4)13-14-22(6)25(9)26(27)17-23(7)21(5)15-16-24(8)28/h15-20,22,28H,5,7-14H2,1-4,6H3/b16-15-,26-17+.
What are the key properties of (3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol?
(3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol has a molecular weight of 388.61 g/mol, XLogP of 8.65, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol is sourced from PubChem (CID 142281394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).