(3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol

C24H35FO — CID 145122426

IUPAC(3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol
SMILESC=C(/C=C(\CCO)C(=C)CC)C(=C)/C(F)=C\C(=C)C(C)/C=C\C(C)CC
InChIInChI=1S/C24H35FO/c1-9-17(3)11-12-19(5)20(6)16-24(25)22(8)21(7)15-23(13-14-26)18(4)10-2/h11-12,15-17,19,26H,4,6-10,13-14H2,1-3,5H3/b12-11-,23-15-,24-16+
InChIKeyQCWWZZVHGZINCN-NDCKSUFMSA-N
MW358.54 g/mol
LogP7.02
Rot. Bonds12

About (3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol

(3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol (PubChem CID 145122426) has the molecular formula C24H35FO and a molecular weight of 358.54 g/mol. Its IUPAC name is (3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol.

Molecular Properties

Compound Name(3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol
PubChem CID145122426
Molecular FormulaC24H35FO
Molecular Weight358.54 g/mol
Exact Mass358.27
IUPAC Name(3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol
SMILESC=C(/C=C(\CCO)C(=C)CC)C(=C)/C(F)=C\C(=C)C(C)/C=C\C(C)CC
InChIInChI=1S/C24H35FO/c1-9-17(3)11-12-19(5)20(6)16-24(25)22(8)21(7)15-23(13-14-26)18(4)10-2/h11-12,15-17,19,26H,4,6-10,13-14H2,1-3,5H3/b12-11-,23-15-,24-16+
InChIKeyQCWWZZVHGZINCN-NDCKSUFMSA-N
XLogP7.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.54
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(4Z,8Z,12Z)-8-ethyl-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene;2-methylprop-2-enal
CID 145122413
[(2E,6E)-2-but-1-en-2-yl-6-fluoro-9,12-dimethyl-4,5,8-trimethylidenetetradeca-2,6-dienyl] acetate
CID 145122796
3,6-dimethyloct-4-ene
CID 73165576
acetaldehyde;(3Z,7Z,11Z)-2-methoxy-4-(3-methoxypropyl)-7,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;prop-1-ene
CID 145122433
(E)-4-methylhex-2-en-1-ol
CID 12036147
(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol
CID 145234988
(3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene
CID 145464239
3,6,11-trimethyl-9-methylidenedodec-4-ene
CID 123241851
(E)-7-methylnon-5-en-2-ol
CID 87272842
(3Z,7E)-7-fluoro-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 145234991
(4R)-4-methyl-3-methylideneoctane
CID 10820618
3,6,8,9-tetramethyltridec-4-ene
CID 123991866

Frequently Asked Questions

What is the IUPAC name of (3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol?
The IUPAC name of (3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol (CID 145122426) is (3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol.
What is the SMILES notation for (3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol?
The canonical SMILES for (3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol is C=C(/C=C(\CCO)C(=C)CC)C(=C)/C(F)=C\C(=C)C(C)/C=C\C(C)CC.
What is the InChIKey of (3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol?
The InChIKey is QCWWZZVHGZINCN-NDCKSUFMSA-N. The full InChI is InChI=1S/C24H35FO/c1-9-17(3)11-12-19(5)20(6)16-24(25)22(8)21(7)15-23(13-14-26)18(4)10-2/h11-12,15-17,19,26H,4,6-10,13-14H2,1-3,5H3/b12-11-,23-15-,24-16+.
What are the key properties of (3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol?
(3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol has a molecular weight of 358.54 g/mol, XLogP of 7.02, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E,11Z)-3-but-1-en-2-yl-7-fluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trien-1-ol is sourced from PubChem (CID 145122426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).