1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde

C10H14O2 — CID 130025563

IUPAC1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde
SMILESC=CC1(C=O)CC=C(CO)CC1
InChIInChI=1S/C10H14O2/c1-2-10(8-12)5-3-9(7-11)4-6-10/h2-3,8,11H,1,4-7H2
InChIKeyWMUKRMBDNZMXCG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.46
Rot. Bonds3

About 1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde

1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde (PubChem CID 130025563) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde
PubChem CID130025563
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde
SMILESC=CC1(C=O)CC=C(CO)CC1
InChIInChI=1S/C10H14O2/c1-2-10(8-12)5-3-9(7-11)4-6-10/h2-3,8,11H,1,4-7H2
InChIKeyWMUKRMBDNZMXCG-UHFFFAOYSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.46
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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Related Compounds

2-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undeca-1,9-dien-3-one
CID 162815203
9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol
CID 162815208
3-methylcyclopent-3-ene-1,1-dicarbaldehyde
CID 89079539
(4R,5S,6R)-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undec-9-ene-4,5-diol
CID 139590382
3-(4-ethyl-4-methylcyclohexen-1-yl)-2-methylpropanal
CID 151351842
8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13213608
[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol
CID 89243964
8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 71344896
4,4-dimethyl-1-(4-methylpent-3-enyl)cyclohexene
CID 143132171
(1R,2S,3aS,8aR)-6-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-3a,8a-dimethyl-3,4,7,8-tetrahydro-2H-azulene-1,2-diol
CID 134552096
cyclododecen-1-ylmethanol
CID 70464862
cyclopent-3-ene-1,1-dicarbaldehyde
CID 57357760

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde (CID 130025563) is 1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde is C=CC1(C=O)CC=C(CO)CC1.
What is the InChIKey of 1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde?
The InChIKey is WMUKRMBDNZMXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-10(8-12)5-3-9(7-11)4-6-10/h2-3,8,11H,1,4-7H2.
What are the key properties of 1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde?
1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 130025563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).