4-hydroxycyclohexene-1-carbaldehyde

C7H10O2 — CID 121280663

IUPAC4-hydroxycyclohexene-1-carbaldehyde
SMILESO=CC1=CCC(O)CC1
InChIInChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h1,5,7,9H,2-4H2
InChIKeyWBJIZOMQPNXSFW-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.66
Rot. Bonds1

About 4-hydroxycyclohexene-1-carbaldehyde

4-hydroxycyclohexene-1-carbaldehyde (PubChem CID 121280663) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4-hydroxycyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name4-hydroxycyclohexene-1-carbaldehyde
PubChem CID121280663
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4-hydroxycyclohexene-1-carbaldehyde
SMILESO=CC1=CCC(O)CC1
InChIInChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h1,5,7,9H,2-4H2
InChIKeyWBJIZOMQPNXSFW-UHFFFAOYSA-N
XLogP0.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclohexene-1-carbaldehyde?
The IUPAC name of 4-hydroxycyclohexene-1-carbaldehyde (CID 121280663) is 4-hydroxycyclohexene-1-carbaldehyde.
What is the SMILES notation for 4-hydroxycyclohexene-1-carbaldehyde?
The canonical SMILES for 4-hydroxycyclohexene-1-carbaldehyde is O=CC1=CCC(O)CC1.
What is the InChIKey of 4-hydroxycyclohexene-1-carbaldehyde?
The InChIKey is WBJIZOMQPNXSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h1,5,7,9H,2-4H2.
What are the key properties of 4-hydroxycyclohexene-1-carbaldehyde?
4-hydroxycyclohexene-1-carbaldehyde has a molecular weight of 126.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclohexene-1-carbaldehyde is sourced from PubChem (CID 121280663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).