4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde

C10H16O2 — CID 130035890

IUPAC4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde
SMILESC=C(C)C1(O)CCC(C=O)CC1
InChIInChI=1S/C10H16O2/c1-8(2)10(12)5-3-9(7-11)4-6-10/h7,9,12H,1,3-6H2,2H3
InChIKeyILTJTLXARRLWGU-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds2

About 4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde

4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde (PubChem CID 130035890) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde
PubChem CID130035890
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde
SMILESC=C(C)C1(O)CCC(C=O)CC1
InChIInChI=1S/C10H16O2/c1-8(2)10(12)5-3-9(7-11)4-6-10/h7,9,12H,1,3-6H2,2H3
InChIKeyILTJTLXARRLWGU-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
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 4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The IUPAC name of 4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde (CID 130035890) is 4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for 4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde is C=C(C)C1(O)CCC(C=O)CC1.
What is the InChIKey of 4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The InChIKey is ILTJTLXARRLWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)10(12)5-3-9(7-11)4-6-10/h7,9,12H,1,3-6H2,2H3.
What are the key properties of 4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 130035890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).