3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol

C13H26O2Si — CID 70961148

IUPAC3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol
SMILESCC(C)(CCC1=CC(O)CCC1)[Si](C)(C)O
InChIInChI=1S/C13H26O2Si/c1-13(2,16(3,4)15)9-8-11-6-5-7-12(14)10-11/h10,12,14-15H,5-9H2,1-4H3
InChIKeyUHZXNWBZRULHQE-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.22
Rot. Bonds4

About 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol

3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol (PubChem CID 70961148) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol
PubChem CID70961148
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol
SMILESCC(C)(CCC1=CC(O)CCC1)[Si](C)(C)O
InChIInChI=1S/C13H26O2Si/c1-13(2,16(3,4)15)9-8-11-6-5-7-12(14)10-11/h10,12,14-15H,5-9H2,1-4H3
InChIKeyUHZXNWBZRULHQE-UHFFFAOYSA-N
XLogP3.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol?
The IUPAC name of 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol (CID 70961148) is 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol is CC(C)(CCC1=CC(O)CCC1)[Si](C)(C)O.
What is the InChIKey of 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol?
The InChIKey is UHZXNWBZRULHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,16(3,4)15)9-8-11-6-5-7-12(14)10-11/h10,12,14-15H,5-9H2,1-4H3.
What are the key properties of 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol?
3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol has a molecular weight of 242.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 70961148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).