3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol

C30H60O2Si — CID 169061269

IUPAC3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol
SMILESCC1=C(CCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1O
InChIInChI=1S/C30H60O2Si/c1-26-27(30(5,6)24-23-28(26)31)22-20-18-16-14-12-10-9-11-13-15-17-19-21-25-32-33(7,8)29(2,3)4/h28,31H,9-25H2,1-8H3
InChIKeyMIUWLRODCOOUPA-UHFFFAOYSA-N
MW480.89 g/mol
LogP9.97
Rot. Bonds17

About 3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol

3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol (PubChem CID 169061269) has the molecular formula C30H60O2Si and a molecular weight of 480.89 g/mol. Its IUPAC name is 3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol
PubChem CID169061269
Molecular FormulaC30H60O2Si
Molecular Weight480.89 g/mol
Exact Mass480.44
IUPAC Name3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol
SMILESCC1=C(CCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1O
InChIInChI=1S/C30H60O2Si/c1-26-27(30(5,6)24-23-28(26)31)22-20-18-16-14-12-10-9-11-13-15-17-19-21-25-32-33(7,8)29(2,3)4/h28,31H,9-25H2,1-8H3
InChIKeyMIUWLRODCOOUPA-UHFFFAOYSA-N
XLogP9.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.89
LogP ≤ 59.97
H-Bond Donors ≤ 51
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 3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol (CID 169061269) is 3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol is CC1=C(CCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1O.
What is the InChIKey of 3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol?
The InChIKey is MIUWLRODCOOUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O2Si/c1-26-27(30(5,6)24-23-28(26)31)22-20-18-16-14-12-10-9-11-13-15-17-19-21-25-32-33(7,8)29(2,3)4/h28,31H,9-25H2,1-8H3.
What are the key properties of 3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol?
3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol has a molecular weight of 480.89 g/mol, XLogP of 9.97, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[15-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 169061269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).