dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate

C15H24O4 — CID 66938232

IUPACdipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate
SMILESCCCOC(=O)C1CC=CC(C)C1C(=O)OCCC
InChIInChI=1S/C15H24O4/c1-4-9-18-14(16)12-8-6-7-11(3)13(12)15(17)19-10-5-2/h6-7,11-13H,4-5,8-10H2,1-3H3
InChIKeyMYYPUOXAGIMMFY-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.72
Rot. Bonds6

About dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate

dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate (PubChem CID 66938232) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate
PubChem CID66938232
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namedipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate
SMILESCCCOC(=O)C1CC=CC(C)C1C(=O)OCCC
InChIInChI=1S/C15H24O4/c1-4-9-18-14(16)12-8-6-7-11(3)13(12)15(17)19-10-5-2/h6-7,11-13H,4-5,8-10H2,1-3H3
InChIKeyMYYPUOXAGIMMFY-UHFFFAOYSA-N
XLogP2.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.72
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-O-benzyl 2-O-butyl 3-methylcyclohex-4-ene-1,2-dicarboxylate
CID 67113186
(1R,2R,6R)-6-ethoxycarbonyl-2-methylcyclohex-3-ene-1-carboxylic acid
CID 144904032
(1S,2S,3R)-3-methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 98091255
tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130
diethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate;4-methylcyclohex-4-ene-1,3-dicarboxylic acid
CID 158393327
trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 93032108
2-methyl-6-pentan-2-yloxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 175835677
diheptyl cyclopent-3-ene-1,2-dicarboxylate
CID 66930175
2-O-decyl 1-O-pentyl cyclohex-4-ene-1,2-dicarboxylate
CID 91712373
6-henicosoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69472499
6-undecoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69473502
6-octoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69471913

Frequently Asked Questions

What is the IUPAC name of dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate?
The IUPAC name of dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate (CID 66938232) is dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate.
What is the SMILES notation for dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate?
The canonical SMILES for dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate is CCCOC(=O)C1CC=CC(C)C1C(=O)OCCC.
What is the InChIKey of dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate?
The InChIKey is MYYPUOXAGIMMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-9-18-14(16)12-8-6-7-11(3)13(12)15(17)19-10-5-2/h6-7,11-13H,4-5,8-10H2,1-3H3.
What are the key properties of dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate?
dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate is sourced from PubChem (CID 66938232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).