bis(prop-2-enyl) 2-cyclohexylhexanedioate

C18H28O4 — CID 139909505

IUPACbis(prop-2-enyl) 2-cyclohexylhexanedioate
SMILESC=CCOC(=O)CCCC(C(=O)OCC=C)C1CCCCC1
InChIInChI=1S/C18H28O4/c1-3-13-21-17(19)12-8-11-16(18(20)22-14-4-2)15-9-6-5-7-10-15/h3-4,15-16H,1-2,5-14H2
InChIKeySFUZVBNXCVGYQC-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.81
Rot. Bonds10

About bis(prop-2-enyl) 2-cyclohexylhexanedioate

bis(prop-2-enyl) 2-cyclohexylhexanedioate (PubChem CID 139909505) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is bis(prop-2-enyl) 2-cyclohexylhexanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2-cyclohexylhexanedioate
PubChem CID139909505
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Namebis(prop-2-enyl) 2-cyclohexylhexanedioate
SMILESC=CCOC(=O)CCCC(C(=O)OCC=C)C1CCCCC1
InChIInChI=1S/C18H28O4/c1-3-13-21-17(19)12-8-11-16(18(20)22-14-4-2)15-9-6-5-7-10-15/h3-4,15-16H,1-2,5-14H2
InChIKeySFUZVBNXCVGYQC-UHFFFAOYSA-N
XLogP3.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(prop-2-enyl) 2-cyclohexylhexanedioate 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

(2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid
CID 71377128
prop-2-enyl 3-cyclohexylpropanoate;prop-2-enyl heptanoate
CID 157403985
2-cyclopentylhept-6-enoic acid
CID 112569181
bis(prop-2-enyl) (2R)-2-aminopentanedioate
CID 87603171
prop-2-enyl 4-hydroxybutanoate
CID 11367059
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
prop-2-enyl cyclododecanecarboxylate
CID 139624721
bis(prop-2-enyl) but-2-enedioate;bis(prop-2-enyl) hexanedioate
CID 173434680
8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331
5-oxo-5-prop-2-enoxypentanoate
CID 22245436
prop-2-enyl N-cyclohexylcarbamate
CID 11126927
prop-2-enyl pentadecanoate
CID 87531612

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 2-cyclohexylhexanedioate?
The IUPAC name of bis(prop-2-enyl) 2-cyclohexylhexanedioate (CID 139909505) is bis(prop-2-enyl) 2-cyclohexylhexanedioate.
What is the SMILES notation for bis(prop-2-enyl) 2-cyclohexylhexanedioate?
The canonical SMILES for bis(prop-2-enyl) 2-cyclohexylhexanedioate is C=CCOC(=O)CCCC(C(=O)OCC=C)C1CCCCC1.
What is the InChIKey of bis(prop-2-enyl) 2-cyclohexylhexanedioate?
The InChIKey is SFUZVBNXCVGYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-3-13-21-17(19)12-8-11-16(18(20)22-14-4-2)15-9-6-5-7-10-15/h3-4,15-16H,1-2,5-14H2.
What are the key properties of bis(prop-2-enyl) 2-cyclohexylhexanedioate?
bis(prop-2-enyl) 2-cyclohexylhexanedioate has a molecular weight of 308.42 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2-cyclohexylhexanedioate is sourced from PubChem (CID 139909505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).