14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol

C30H53FOSi — CID 57372482

IUPAC14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol
SMILESCC(=CCCC(F)=C(C)CCC=CC[Si](C)(C)C)CCC=C(C)CCC(=C(C)C)C(C)(C)O
InChIInChI=1S/C30H53FOSi/c1-24(2)28(30(6,7)32)22-21-26(4)17-14-16-25(3)18-15-20-29(31)27(5)19-12-11-13-23-33(8,9)10/h11,13,17-18,32H,12,14-16,19-23H2,1-10H3
InChIKeyBSVRSVJDPVXGIJ-UHFFFAOYSA-N
MW476.84 g/mol
LogP10.24
Rot. Bonds15

About 14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol

14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol (PubChem CID 57372482) has the molecular formula C30H53FOSi and a molecular weight of 476.84 g/mol. Its IUPAC name is 14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol.

Molecular Properties

Compound Name14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol
PubChem CID57372482
Molecular FormulaC30H53FOSi
Molecular Weight476.84 g/mol
Exact Mass476.38
IUPAC Name14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol
SMILESCC(=CCCC(F)=C(C)CCC=CC[Si](C)(C)C)CCC=C(C)CCC(=C(C)C)C(C)(C)O
InChIInChI=1S/C30H53FOSi/c1-24(2)28(30(6,7)32)22-21-26(4)17-14-16-25(3)18-15-20-29(31)27(5)19-12-11-13-23-33(8,9)10/h11,13,17-18,32H,12,14-16,19-23H2,1-10H3
InChIKeyBSVRSVJDPVXGIJ-UHFFFAOYSA-N
XLogP10.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.84
LogP ≤ 510.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol?
The IUPAC name of 14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol (CID 57372482) is 14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol.
What is the SMILES notation for 14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol?
The canonical SMILES for 14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol is CC(=CCCC(F)=C(C)CCC=CC[Si](C)(C)C)CCC=C(C)CCC(=C(C)C)C(C)(C)O.
What is the InChIKey of 14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol?
The InChIKey is BSVRSVJDPVXGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53FOSi/c1-24(2)28(30(6,7)32)22-21-26(4)17-14-16-25(3)18-15-20-29(31)27(5)19-12-11-13-23-33(8,9)10/h11,13,17-18,32H,12,14-16,19-23H2,1-10H3.
What are the key properties of 14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol?
14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol has a molecular weight of 476.84 g/mol, XLogP of 10.24, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-2,6,10,15-tetramethyl-3-propan-2-ylidene-20-trimethylsilylicosa-6,10,14,18-tetraen-2-ol is sourced from PubChem (CID 57372482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).