acetonitrile;ethane;4-methylcyclohexan-1-ol

C11H23NO — CID 142088226

IUPACacetonitrile;ethane;4-methylcyclohexan-1-ol
SMILESCC.CC#N.CC1CCC(O)CC1
InChIInChI=1S/C7H14O.C2H3N.C2H6/c1-6-2-4-7(8)5-3-6;1-2-3;1-2/h6-8H,2-5H2,1H3;1H3;1-2H3
InChIKeyWAQBTZHHDYZEGH-UHFFFAOYSA-N
MW185.31 g/mol
LogP3.11
Rot. Bonds

About acetonitrile;ethane;4-methylcyclohexan-1-ol

acetonitrile;ethane;4-methylcyclohexan-1-ol (PubChem CID 142088226) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is acetonitrile;ethane;4-methylcyclohexan-1-ol.

Molecular Properties

Compound Nameacetonitrile;ethane;4-methylcyclohexan-1-ol
PubChem CID142088226
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameacetonitrile;ethane;4-methylcyclohexan-1-ol
SMILESCC.CC#N.CC1CCC(O)CC1
InChIInChI=1S/C7H14O.C2H3N.C2H6/c1-6-2-4-7(8)5-3-6;1-2-3;1-2/h6-8H,2-5H2,1H3;1H3;1-2H3
InChIKeyWAQBTZHHDYZEGH-UHFFFAOYSA-N
XLogP3.11
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;ethane;4-methylcyclohexan-1-ol?
The IUPAC name of acetonitrile;ethane;4-methylcyclohexan-1-ol (CID 142088226) is acetonitrile;ethane;4-methylcyclohexan-1-ol.
What is the SMILES notation for acetonitrile;ethane;4-methylcyclohexan-1-ol?
The canonical SMILES for acetonitrile;ethane;4-methylcyclohexan-1-ol is CC.CC#N.CC1CCC(O)CC1.
What is the InChIKey of acetonitrile;ethane;4-methylcyclohexan-1-ol?
The InChIKey is WAQBTZHHDYZEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C2H3N.C2H6/c1-6-2-4-7(8)5-3-6;1-2-3;1-2/h6-8H,2-5H2,1H3;1H3;1-2H3.
What are the key properties of acetonitrile;ethane;4-methylcyclohexan-1-ol?
acetonitrile;ethane;4-methylcyclohexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;ethane;4-methylcyclohexan-1-ol is sourced from PubChem (CID 142088226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).