3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal

C14H24O — CID 162503065

IUPAC3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal
SMILESCC(C)C[C@H]1CC=C(CCC=O)[C@H](C)C1
InChIInChI=1S/C14H24O/c1-11(2)9-13-6-7-14(5-4-8-15)12(3)10-13/h7-8,11-13H,4-6,9-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyRRWGJUSHKDEIDE-CHWSQXEVSA-N
MW208.34 g/mol
LogP3.98
Rot. Bonds5

About 3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal

3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal (PubChem CID 162503065) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal.

Molecular Properties

Compound Name3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal
PubChem CID162503065
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal
SMILESCC(C)C[C@H]1CC=C(CCC=O)[C@H](C)C1
InChIInChI=1S/C14H24O/c1-11(2)9-13-6-7-14(5-4-8-15)12(3)10-13/h7-8,11-13H,4-6,9-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyRRWGJUSHKDEIDE-CHWSQXEVSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal 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

Citronellal
CID 7794
Perillaldehyde
CID 16441
6-Octenal, 3,7-dimethyl-, (3R)-
CID 75427
beta-HOMOCYCLOCITRAL
CID 61124
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
CID 93199
alpha-Cyclocitral
CID 94143
Tetrahydro-pseudo-ionone
CID 102604
1-p-Menthen-9-al
CID 520440
Perillaldehyde, (-)-
CID 2724159
(S)-(-)-Citronellal
CID 443157
Vertonal
CID 101150
2,4-Dimethyl-3-cyclohexene carboxaldehyde
CID 93375

Frequently Asked Questions

What is the IUPAC name of 3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal?
The IUPAC name of 3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal (CID 162503065) is 3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal.
What is the SMILES notation for 3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal?
The canonical SMILES for 3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal is CC(C)C[C@H]1CC=C(CCC=O)[C@H](C)C1.
What is the InChIKey of 3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal?
The InChIKey is RRWGJUSHKDEIDE-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)9-13-6-7-14(5-4-8-15)12(3)10-13/h7-8,11-13H,4-6,9-10H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal?
3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal has a molecular weight of 208.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal is sourced from PubChem (CID 162503065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).