1-butylcyclohexan-1-ol;prop-2-enoic acid

C13H24O3 — CID 146449698

IUPAC1-butylcyclohexan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CCCCC1(O)CCCCC1
InChIInChI=1S/C10H20O.C3H4O2/c1-2-3-7-10(11)8-5-4-6-9-10;1-2-3(4)5/h11H,2-9H2,1H3;2H,1H2,(H,4,5)
InChIKeyMQUXSCDAUMERDM-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.13
Rot. Bonds4

About 1-butylcyclohexan-1-ol;prop-2-enoic acid

1-butylcyclohexan-1-ol;prop-2-enoic acid (PubChem CID 146449698) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-butylcyclohexan-1-ol;prop-2-enoic acid.

Molecular Properties

Compound Name1-butylcyclohexan-1-ol;prop-2-enoic acid
PubChem CID146449698
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-butylcyclohexan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CCCCC1(O)CCCCC1
InChIInChI=1S/C10H20O.C3H4O2/c1-2-3-7-10(11)8-5-4-6-9-10;1-2-3(4)5/h11H,2-9H2,1H3;2H,1H2,(H,4,5)
InChIKeyMQUXSCDAUMERDM-UHFFFAOYSA-N
XLogP3.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butylcyclohexan-1-ol;prop-2-enoic acid?
The IUPAC name of 1-butylcyclohexan-1-ol;prop-2-enoic acid (CID 146449698) is 1-butylcyclohexan-1-ol;prop-2-enoic acid.
What is the SMILES notation for 1-butylcyclohexan-1-ol;prop-2-enoic acid?
The canonical SMILES for 1-butylcyclohexan-1-ol;prop-2-enoic acid is C=CC(=O)O.CCCCC1(O)CCCCC1.
What is the InChIKey of 1-butylcyclohexan-1-ol;prop-2-enoic acid?
The InChIKey is MQUXSCDAUMERDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C3H4O2/c1-2-3-7-10(11)8-5-4-6-9-10;1-2-3(4)5/h11H,2-9H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 1-butylcyclohexan-1-ol;prop-2-enoic acid?
1-butylcyclohexan-1-ol;prop-2-enoic acid has a molecular weight of 228.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylcyclohexan-1-ol;prop-2-enoic acid is sourced from PubChem (CID 146449698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).