bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate

C15H22O4 — CID 21184997

IUPACbis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate
SMILESC=CCOC(=O)C1CCC(C)CC1C(=O)OCC=C
InChIInChI=1S/C15H22O4/c1-4-8-18-14(16)12-7-6-11(3)10-13(12)15(17)19-9-5-2/h4-5,11-13H,1-2,6-10H2,3H3
InChIKeyKSENKPGFUURUFR-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.50
Rot. Bonds6

About bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate

bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate (PubChem CID 21184997) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate
PubChem CID21184997
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namebis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate
SMILESC=CCOC(=O)C1CCC(C)CC1C(=O)OCC=C
InChIInChI=1S/C15H22O4/c1-4-8-18-14(16)12-7-6-11(3)10-13(12)15(17)19-9-5-2/h4-5,11-13H,1-2,6-10H2,3H3
InChIKeyKSENKPGFUURUFR-UHFFFAOYSA-N
XLogP2.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-Cyclohexanedicarboxylic acid, 1,2-di-2-propen-1-yl ester
CID 101161
(1R,6S)-Allyl 2,2,6-trimethylcyclohexanecarboxylate
CID 117094806
1,2-Cyclohexanedicarboxylic acid, allyl octyl ester
CID 58612919
Diallyl 1,4-Cyclohexanedicarboxylate
CID 11265237
Prop-2-en-1-yl 2,2,6-trimethylcyclohexane-1-carboxylate
CID 117834088
Bis(prop-2-enyl) 3,4,5,6-tetrafluorocyclohexane-1,2-dicarboxylate
CID 140439173
1,2-Cyclohexanedicarboxylic acid, allyl isobutyl ester
CID 91691292
1,2-Cyclohexanedicarboxylic acid, allyl ethyl ester
CID 91697609
1,2-Cyclohexanedicarboxylic acid, allyl butyl ester
CID 91697610
1,2-Cyclohexanedicarboxylic acid, allyl propyl ester
CID 91697749
1,2-Cyclohexanedicarboxylic acid, allyl heptyl ester
CID 91721678
1,2-Cyclohexanedicarboxylic acid, allyl hexyl ester
CID 91722222

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate (CID 21184997) is bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate is C=CCOC(=O)C1CCC(C)CC1C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate?
The InChIKey is KSENKPGFUURUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-8-18-14(16)12-7-6-11(3)10-13(12)15(17)19-9-5-2/h4-5,11-13H,1-2,6-10H2,3H3.
What are the key properties of bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate?
bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 21184997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).