1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene

C19H34O2 — CID 175795883

IUPAC1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene
SMILESCCCCCCCCCCC1=C(C)CC(OC)=C(OC)C1
InChIInChI=1S/C19H34O2/c1-5-6-7-8-9-10-11-12-13-17-15-19(21-4)18(20-3)14-16(17)2/h5-15H2,1-4H3
InChIKeyZUCPQKUFNLHNFK-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.13
Rot. Bonds11

About 1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene

1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene (PubChem CID 175795883) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene.

Molecular Properties

Compound Name1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene
PubChem CID175795883
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene
SMILESCCCCCCCCCCC1=C(C)CC(OC)=C(OC)C1
InChIInChI=1S/C19H34O2/c1-5-6-7-8-9-10-11-12-13-17-15-19(21-4)18(20-3)14-16(17)2/h5-15H2,1-4H3
InChIKeyZUCPQKUFNLHNFK-UHFFFAOYSA-N
XLogP6.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene 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

1,2-diheptylcyclopropene
CID 557048
1-butyl-2-hexylcyclopropene
CID 134897823
1-bromo-2-nonylcyclopropene
CID 22621660
1-pentyl-2-(2-pentylcyclohexen-1-yl)oxycyclohexene
CID 21413591
5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran
CID 152532677
(4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane
CID 144561487
1,2-dihexylcyclohexene
CID 19795043
1,4-dimethyl-2-pentylcyclohexene
CID 175171026
methoxymethane;undecane
CID 174775722
7-(2-octylcyclopropen-1-yl)heptanoic acid
CID 10416
8-(2-heptylcyclopropen-1-yl)octanoic acid
CID 68593336
decane;ruthenium
CID 160818595

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene?
The IUPAC name of 1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene (CID 175795883) is 1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene.
What is the SMILES notation for 1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene?
The canonical SMILES for 1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene is CCCCCCCCCCC1=C(C)CC(OC)=C(OC)C1.
What is the InChIKey of 1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene?
The InChIKey is ZUCPQKUFNLHNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-5-6-7-8-9-10-11-12-13-17-15-19(21-4)18(20-3)14-16(17)2/h5-15H2,1-4H3.
What are the key properties of 1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene?
1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene has a molecular weight of 294.48 g/mol, XLogP of 6.13, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene is sourced from PubChem (CID 175795883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).