2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde

C11H18O2 — CID 174854820

IUPAC2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde
SMILESC=C(C)C1CCC(C)(O)C(C=O)C1
InChIInChI=1S/C11H18O2/c1-8(2)9-4-5-11(3,13)10(6-9)7-12/h7,9-10,13H,1,4-6H2,2-3H3
InChIKeyIIQKXXYNDCALIP-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.93
Rot. Bonds2

About 2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde

2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde (PubChem CID 174854820) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde
PubChem CID174854820
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde
SMILESC=C(C)C1CCC(C)(O)C(C=O)C1
InChIInChI=1S/C11H18O2/c1-8(2)9-4-5-11(3,13)10(6-9)7-12/h7,9-10,13H,1,4-6H2,2-3H3
InChIKeyIIQKXXYNDCALIP-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The IUPAC name of 2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde (CID 174854820) is 2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde is C=C(C)C1CCC(C)(O)C(C=O)C1.
What is the InChIKey of 2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The InChIKey is IIQKXXYNDCALIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)9-4-5-11(3,13)10(6-9)7-12/h7,9-10,13H,1,4-6H2,2-3H3.
What are the key properties of 2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde has a molecular weight of 182.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 174854820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).