6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde

C10H16O2 — CID 174376062

IUPAC6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
SMILESCC1(C)C=CC(C=O)C(CO)C1
InChIInChI=1S/C10H16O2/c1-10(2)4-3-8(6-11)9(5-10)7-12/h3-4,6,8-9,12H,5,7H2,1-2H3
InChIKeyYJYQRZAFEMYTLV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.40
Rot. Bonds2

About 6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde

6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde (PubChem CID 174376062) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
PubChem CID174376062
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
SMILESCC1(C)C=CC(C=O)C(CO)C1
InChIInChI=1S/C10H16O2/c1-10(2)4-3-8(6-11)9(5-10)7-12/h3-4,6,8-9,12H,5,7H2,1-2H3
InChIKeyYJYQRZAFEMYTLV-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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 6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde (CID 174376062) is 6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde is CC1(C)C=CC(C=O)C(CO)C1.
What is the InChIKey of 6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The InChIKey is YJYQRZAFEMYTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(2)4-3-8(6-11)9(5-10)7-12/h3-4,6,8-9,12H,5,7H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 174376062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).