(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol

C29H44O2Si — CID 90132776

IUPAC(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol
SMILESCC(C)(CCCCC/C=C\CCCCCCCO)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H44O2Si/c1-29(2,25-19-11-9-7-5-3-4-6-8-10-12-20-26-30)32(31,27-21-15-13-16-22-27)28-23-17-14-18-24-28/h3,5,13-18,21-24,30-31H,4,6-12,19-20,25-26H2,1-2H3/b5-3-
InChIKeyUQODEAZNEBHTBX-HYXAFXHYSA-N
MW452.76 g/mol
LogP6.36
Rot. Bonds16

About (Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol

(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol (PubChem CID 90132776) has the molecular formula C29H44O2Si and a molecular weight of 452.76 g/mol. Its IUPAC name is (Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol.

Molecular Properties

Compound Name(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol
PubChem CID90132776
Molecular FormulaC29H44O2Si
Molecular Weight452.76 g/mol
Exact Mass452.31
IUPAC Name(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol
SMILESCC(C)(CCCCC/C=C\CCCCCCCO)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H44O2Si/c1-29(2,25-19-11-9-7-5-3-4-6-8-10-12-20-26-30)32(31,27-21-15-13-16-22-27)28-23-17-14-18-24-28/h3,5,13-18,21-24,30-31H,4,6-12,19-20,25-26H2,1-2H3/b5-3-
InChIKeyUQODEAZNEBHTBX-HYXAFXHYSA-N
XLogP6.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.76
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol?
The IUPAC name of (Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol (CID 90132776) is (Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol.
What is the SMILES notation for (Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol?
The canonical SMILES for (Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol is CC(C)(CCCCC/C=C\CCCCCCCO)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol?
The InChIKey is UQODEAZNEBHTBX-HYXAFXHYSA-N. The full InChI is InChI=1S/C29H44O2Si/c1-29(2,25-19-11-9-7-5-3-4-6-8-10-12-20-26-30)32(31,27-21-15-13-16-22-27)28-23-17-14-18-24-28/h3,5,13-18,21-24,30-31H,4,6-12,19-20,25-26H2,1-2H3/b5-3-.
What are the key properties of (Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol?
(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol has a molecular weight of 452.76 g/mol, XLogP of 6.36, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol is sourced from PubChem (CID 90132776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).