acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol

C12H26O3Si — CID 71329800

IUPACacetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol
SMILESCC(=O)O.C[Si](C)(C)CC1CCCCC1O
InChIInChI=1S/C10H22OSi.C2H4O2/c1-12(2,3)8-9-6-4-5-7-10(9)11;1-2(3)4/h9-11H,4-8H2,1-3H3;1H3,(H,3,4)
InChIKeyHNYLNBRRDYPKEF-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.97
Rot. Bonds2

About acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol

acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol (PubChem CID 71329800) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Nameacetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol
PubChem CID71329800
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Nameacetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol
SMILESCC(=O)O.C[Si](C)(C)CC1CCCCC1O
InChIInChI=1S/C10H22OSi.C2H4O2/c1-12(2,3)8-9-6-4-5-7-10(9)11;1-2(3)4/h9-11H,4-8H2,1-3H3;1H3,(H,3,4)
InChIKeyHNYLNBRRDYPKEF-UHFFFAOYSA-N
XLogP2.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol?
The IUPAC name of acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol (CID 71329800) is acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol.
What is the SMILES notation for acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol?
The canonical SMILES for acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol is CC(=O)O.C[Si](C)(C)CC1CCCCC1O.
What is the InChIKey of acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol?
The InChIKey is HNYLNBRRDYPKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSi.C2H4O2/c1-12(2,3)8-9-6-4-5-7-10(9)11;1-2(3)4/h9-11H,4-8H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol?
acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol has a molecular weight of 246.42 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(trimethylsilylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 71329800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).