3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde

C18H32O2 — CID 174552199

IUPAC3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde
SMILESCC1CCC(C=O)C=C1CCCCCCCCCCO
InChIInChI=1S/C18H32O2/c1-16-11-12-17(15-20)14-18(16)10-8-6-4-2-3-5-7-9-13-19/h14-17,19H,2-13H2,1H3
InChIKeyUKFKRXRDXGEMFC-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.66
Rot. Bonds11

About 3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde

3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde (PubChem CID 174552199) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde
PubChem CID174552199
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde
SMILESCC1CCC(C=O)C=C1CCCCCCCCCCO
InChIInChI=1S/C18H32O2/c1-16-11-12-17(15-20)14-18(16)10-8-6-4-2-3-5-7-9-13-19/h14-17,19H,2-13H2,1H3
InChIKeyUKFKRXRDXGEMFC-UHFFFAOYSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(12-hydroxydodecyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174537712
3-(11-hydroxyundecyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174552184
3-(12-hydroxydodecyl)-2-methylcyclohex-2-ene-1-carbaldehyde
CID 174552203
3-(14-hydroxytetradecyl)-2,4,4-trimethylcyclohex-2-ene-1-carbaldehyde
CID 174552180
3-(12-hydroxydodecyl)-2,4,4-trimethylcyclohex-2-ene-1-carbaldehyde
CID 174537939
3-butylcyclohex-2-ene-1-carbaldehyde
CID 174734502
4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one
CID 20513649
ethane;formamide;heptane-1,7-diol
CID 176682059
(2S)-1-chloro-4-[(3R,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol
CID 46189389
2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde
CID 123636880
2-(6-hydroxyhexyl)cycloprop-2-en-1-one
CID 10975707
6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol
CID 158863478

Frequently Asked Questions

What is the IUPAC name of 3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde (CID 174552199) is 3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde is CC1CCC(C=O)C=C1CCCCCCCCCCO.
What is the InChIKey of 3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde?
The InChIKey is UKFKRXRDXGEMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-16-11-12-17(15-20)14-18(16)10-8-6-4-2-3-5-7-9-13-19/h14-17,19H,2-13H2,1H3.
What are the key properties of 3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde?
3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde has a molecular weight of 280.45 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-hydroxydecyl)-4-methylcyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 174552199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).