4-methylcyclohexan-1-ol;propanoic acid

C10H20O3 — CID 170841957

IUPAC4-methylcyclohexan-1-ol;propanoic acid
SMILESCC1CCC(O)CC1.CCC(=O)O
InChIInChI=1S/C7H14O.C3H6O2/c1-6-2-4-7(8)5-3-6;1-2-3(4)5/h6-8H,2-5H2,1H3;2H2,1H3,(H,4,5)
InChIKeyAXXVDUCGEVCUAV-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.04
Rot. Bonds1

About 4-methylcyclohexan-1-ol;propanoic acid

4-methylcyclohexan-1-ol;propanoic acid (PubChem CID 170841957) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-methylcyclohexan-1-ol;propanoic acid.

Molecular Properties

Compound Name4-methylcyclohexan-1-ol;propanoic acid
PubChem CID170841957
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4-methylcyclohexan-1-ol;propanoic acid
SMILESCC1CCC(O)CC1.CCC(=O)O
InChIInChI=1S/C7H14O.C3H6O2/c1-6-2-4-7(8)5-3-6;1-2-3(4)5/h6-8H,2-5H2,1H3;2H2,1H3,(H,4,5)
InChIKeyAXXVDUCGEVCUAV-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexan-1-ol;propanoic acid?
The IUPAC name of 4-methylcyclohexan-1-ol;propanoic acid (CID 170841957) is 4-methylcyclohexan-1-ol;propanoic acid.
What is the SMILES notation for 4-methylcyclohexan-1-ol;propanoic acid?
The canonical SMILES for 4-methylcyclohexan-1-ol;propanoic acid is CC1CCC(O)CC1.CCC(=O)O.
What is the InChIKey of 4-methylcyclohexan-1-ol;propanoic acid?
The InChIKey is AXXVDUCGEVCUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C3H6O2/c1-6-2-4-7(8)5-3-6;1-2-3(4)5/h6-8H,2-5H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 4-methylcyclohexan-1-ol;propanoic acid?
4-methylcyclohexan-1-ol;propanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexan-1-ol;propanoic acid is sourced from PubChem (CID 170841957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).