5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid

C13H24O3 — CID 170839275

IUPAC5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid
SMILESC=C(C)C1CCC(C)CC1O.CCC(=O)O
InChIInChI=1S/C10H18O.C3H6O2/c1-7(2)9-5-4-8(3)6-10(9)11;1-2-3(4)5/h8-11H,1,4-6H2,2-3H3;2H2,1H3,(H,4,5)
InChIKeyQKSVJASEYONRSP-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.84
Rot. Bonds2

About 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid

5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid (PubChem CID 170839275) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid.

Molecular Properties

Compound Name5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid
PubChem CID170839275
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid
SMILESC=C(C)C1CCC(C)CC1O.CCC(=O)O
InChIInChI=1S/C10H18O.C3H6O2/c1-7(2)9-5-4-8(3)6-10(9)11;1-2-3(4)5/h8-11H,1,4-6H2,2-3H3;2H2,1H3,(H,4,5)
InChIKeyQKSVJASEYONRSP-UHFFFAOYSA-N
XLogP2.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid?
The IUPAC name of 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid (CID 170839275) is 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid.
What is the SMILES notation for 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid?
The canonical SMILES for 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid is C=C(C)C1CCC(C)CC1O.CCC(=O)O.
What is the InChIKey of 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid?
The InChIKey is QKSVJASEYONRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C3H6O2/c1-7(2)9-5-4-8(3)6-10(9)11;1-2-3(4)5/h8-11H,1,4-6H2,2-3H3;2H2,1H3,(H,4,5).
What are the key properties of 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid?
5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid has a molecular weight of 228.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;propanoic acid is sourced from PubChem (CID 170839275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).