(4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol

C26H45FOSi — CID 10993514

IUPAC(4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol
SMILESC/C(=C/CC(C)(C)CC#CC[Si](C)(C)C)CC/C(C)=C(\F)CCC(O)C1(C)CC1
InChIInChI=1S/C26H45FOSi/c1-21(15-17-25(3,4)16-9-10-20-29(6,7)8)11-12-22(2)23(27)13-14-24(28)26(5)18-19-26/h15,24,28H,11-14,16-20H2,1-8H3/b21-15-,23-22-
InChIKeyDASVDBWCPDUQDA-GZLYRTHNSA-N
MW420.73 g/mol
LogP8.05
Rot. Bonds11

About (4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol

(4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol (PubChem CID 10993514) has the molecular formula C26H45FOSi and a molecular weight of 420.73 g/mol. Its IUPAC name is (4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol.

Molecular Properties

Compound Name(4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol
PubChem CID10993514
Molecular FormulaC26H45FOSi
Molecular Weight420.73 g/mol
Exact Mass420.32
IUPAC Name(4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol
SMILESC/C(=C/CC(C)(C)CC#CC[Si](C)(C)C)CC/C(C)=C(\F)CCC(O)C1(C)CC1
InChIInChI=1S/C26H45FOSi/c1-21(15-17-25(3,4)16-9-10-20-29(6,7)8)11-12-22(2)23(27)13-14-24(28)26(5)18-19-26/h15,24,28H,11-14,16-20H2,1-8H3/b21-15-,23-22-
InChIKeyDASVDBWCPDUQDA-GZLYRTHNSA-N
XLogP8.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.73
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol?
The IUPAC name of (4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol (CID 10993514) is (4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol.
What is the SMILES notation for (4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol?
The canonical SMILES for (4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol is C/C(=C/CC(C)(C)CC#CC[Si](C)(C)C)CC/C(C)=C(\F)CCC(O)C1(C)CC1.
What is the InChIKey of (4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol?
The InChIKey is DASVDBWCPDUQDA-GZLYRTHNSA-N. The full InChI is InChI=1S/C26H45FOSi/c1-21(15-17-25(3,4)16-9-10-20-29(6,7)8)11-12-22(2)23(27)13-14-24(28)26(5)18-19-26/h15,24,28H,11-14,16-20H2,1-8H3/b21-15-,23-22-.
What are the key properties of (4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol?
(4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol has a molecular weight of 420.73 g/mol, XLogP of 8.05, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z)-4-fluoro-5,8,11,11-tetramethyl-1-(1-methylcyclopropyl)-15-trimethylsilylpentadeca-4,8-dien-13-yn-1-ol is sourced from PubChem (CID 10993514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).