dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate

C19H28O4 — CID 123926902

IUPACdimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate
SMILESC=CCCC(C)=CCCC1=CCC(C(=O)OC)C(C(=O)OC)C1
InChIInChI=1S/C19H28O4/c1-5-6-8-14(2)9-7-10-15-11-12-16(18(20)22-3)17(13-15)19(21)23-4/h5,9,11,16-17H,1,6-8,10,12-13H2,2-4H3
InChIKeyFPPKAMYVZSLYIG-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.98
Rot. Bonds8

About dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate

dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate (PubChem CID 123926902) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate
PubChem CID123926902
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Namedimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate
SMILESC=CCCC(C)=CCCC1=CCC(C(=O)OC)C(C(=O)OC)C1
InChIInChI=1S/C19H28O4/c1-5-6-8-14(2)9-7-10-15-11-12-16(18(20)22-3)17(13-15)19(21)23-4/h5,9,11,16-17H,1,6-8,10,12-13H2,2-4H3
InChIKeyFPPKAMYVZSLYIG-UHFFFAOYSA-N
XLogP3.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate 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

methyl (1R,6S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylcyclohex-3-ene-1-carboxylate
CID 138726323
dibutyl (1R,2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate
CID 90326837
methyl 3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carboxylate
CID 161325290
dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione
CID 160970486
2-[(4S,5S)-4,5-bis(methoxycarbonyl)cyclohexen-1-yl]acetic acid
CID 102426654
2-[(4R,5R)-4,5-bis(methoxycarbonyl)cyclohexen-1-yl]acetic acid
CID 102426655
dimethyl (1S)-3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-5-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate
CID 166933300
methyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methoxycyclohex-3-ene-1-carboxylate
CID 10639444
dimethyl 4-(6-methylhept-5-en-2-yl)cyclohex-4-ene-1,2-dicarboxylate
CID 163556898
(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
CID 169000974
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carboxylate
CID 88925503
ethane;(5Z)-5-methylocta-1,5-diene
CID 155705867

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate (CID 123926902) is dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate is C=CCCC(C)=CCCC1=CCC(C(=O)OC)C(C(=O)OC)C1.
What is the InChIKey of dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate?
The InChIKey is FPPKAMYVZSLYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-5-6-8-14(2)9-7-10-15-11-12-16(18(20)22-3)17(13-15)19(21)23-4/h5,9,11,16-17H,1,6-8,10,12-13H2,2-4H3.
What are the key properties of dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate?
dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate has a molecular weight of 320.43 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate is sourced from PubChem (CID 123926902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).