2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal

C15H24O — CID 91747151

IUPAC2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal
SMILESC=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(C)C=O
InChIInChI=1S/C15H24O/c1-6-15(5)8-7-13(11(2)3)9-14(15)12(4)10-16/h6,10,12-14H,1-2,7-9H2,3-5H3/t12?,13-,14+,15-/m1/s1
InChIKeyDFDSCTULEHLJOC-JALIKCBVSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds4

About 2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal

2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal (PubChem CID 91747151) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal.

Molecular Properties

Compound Name2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal
PubChem CID91747151
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal
SMILESC=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(C)C=O
InChIInChI=1S/C15H24O/c1-6-15(5)8-7-13(11(2)3)9-14(15)12(4)10-16/h6,10,12-14H,1-2,7-9H2,3-5H3/t12?,13-,14+,15-/m1/s1
InChIKeyDFDSCTULEHLJOC-JALIKCBVSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.01
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 2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal?
The IUPAC name of 2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal (CID 91747151) is 2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal.
What is the SMILES notation for 2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal?
The canonical SMILES for 2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal is C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(C)C=O.
What is the InChIKey of 2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal?
The InChIKey is DFDSCTULEHLJOC-JALIKCBVSA-N. The full InChI is InChI=1S/C15H24O/c1-6-15(5)8-7-13(11(2)3)9-14(15)12(4)10-16/h6,10,12-14H,1-2,7-9H2,3-5H3/t12?,13-,14+,15-/m1/s1.
What are the key properties of 2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal?
2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal has a molecular weight of 220.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]propanal is sourced from PubChem (CID 91747151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).