2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate

C15H24O2 — CID 91700417

IUPAC2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)OC(C)(C)C1CC=C(C)CC1
InChIInChI=1S/C15H24O2/c1-6-12(3)14(16)17-15(4,5)13-9-7-11(2)8-10-13/h6-7,13H,8-10H2,1-5H3/b12-6-
InChIKeyXMZRVZZNEWGJSP-SDQBBNPISA-N
MW236.35 g/mol
LogP4.02
Rot. Bonds3

About 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate (PubChem CID 91700417) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate
PubChem CID91700417
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)OC(C)(C)C1CC=C(C)CC1
InChIInChI=1S/C15H24O2/c1-6-12(3)14(16)17-15(4,5)13-9-7-11(2)8-10-13/h6-7,13H,8-10H2,1-5H3/b12-6-
InChIKeyXMZRVZZNEWGJSP-SDQBBNPISA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate 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

Terpinyl propionate
CID 62328
alpha-Terpinyl acetate
CID 111037
Citronellyl tiglate
CID 6386037
Terpinyl isobutyrate
CID 522673
alpha-Terpinyl butyrate
CID 578423
Terpinyl isovalerate
CID 585911
alpha-Terpinyl acetate, (+)-
CID 11469649
2-(4-Methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl acetate
CID 538920
alpha-Terpinyl acetate, (-)-
CID 93317
1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate
CID 85741
plakilactone C
CID 71451878
Plakortone G
CID 44576264

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate (CID 91700417) is 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate is C/C=C(/C)C(=O)OC(C)(C)C1CC=C(C)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate?
The InChIKey is XMZRVZZNEWGJSP-SDQBBNPISA-N. The full InChI is InChI=1S/C15H24O2/c1-6-12(3)14(16)17-15(4,5)13-9-7-11(2)8-10-13/h6-7,13H,8-10H2,1-5H3/b12-6-.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate?
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate has a molecular weight of 236.35 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 91700417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).