1,2-dihexoxy-4-methylcyclohexa-1,3-diene

C19H34O2 — CID 143240597

IUPAC1,2-dihexoxy-4-methylcyclohexa-1,3-diene
SMILESCCCCCCOC1=C(OCCCCCC)CCC(C)=C1
InChIInChI=1S/C19H34O2/c1-4-6-8-10-14-20-18-13-12-17(3)16-19(18)21-15-11-9-7-5-2/h16H,4-15H2,1-3H3
InChIKeyYPPRYTLKWOZSOE-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.13
Rot. Bonds12

About 1,2-dihexoxy-4-methylcyclohexa-1,3-diene

1,2-dihexoxy-4-methylcyclohexa-1,3-diene (PubChem CID 143240597) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1,2-dihexoxy-4-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-dihexoxy-4-methylcyclohexa-1,3-diene
PubChem CID143240597
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name1,2-dihexoxy-4-methylcyclohexa-1,3-diene
SMILESCCCCCCOC1=C(OCCCCCC)CCC(C)=C1
InChIInChI=1S/C19H34O2/c1-4-6-8-10-14-20-18-13-12-17(3)16-19(18)21-15-11-9-7-5-2/h16H,4-15H2,1-3H3
InChIKeyYPPRYTLKWOZSOE-UHFFFAOYSA-N
XLogP6.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
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'}

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Related Compounds

1-(1-Ethoxy-vinyl)-cyclohexene
CID 14296312
1-(1-Butoxyethenyl)cyclohexene
CID 11019469
1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
1-(3-Methylbut-2-enoxy)cyclohexene
CID 86158325
5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247475
(3Z)-3-[(2E)-3-(fluoromethoxy)-4-methylpenta-2,4-dienylidene]oxepane
CID 167079765
2,2-diethoxy-5,6-dihydro-4H-1-benzofuran
CID 12847451
1-(1-Butoxyethenyl)cyclopentene
CID 14296313
8,9,18,19-Tetrahexoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
CID 132548308
1-(2-Methylprop-2-enoxy)cyclohexene
CID 134859072
1-[(Z)-1,2-dimethoxyethenyl]cyclohexene
CID 134985663
carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum
CID 135047606

Frequently Asked Questions

What is the IUPAC name of 1,2-dihexoxy-4-methylcyclohexa-1,3-diene?
The IUPAC name of 1,2-dihexoxy-4-methylcyclohexa-1,3-diene (CID 143240597) is 1,2-dihexoxy-4-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2-dihexoxy-4-methylcyclohexa-1,3-diene?
The canonical SMILES for 1,2-dihexoxy-4-methylcyclohexa-1,3-diene is CCCCCCOC1=C(OCCCCCC)CCC(C)=C1.
What is the InChIKey of 1,2-dihexoxy-4-methylcyclohexa-1,3-diene?
The InChIKey is YPPRYTLKWOZSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-4-6-8-10-14-20-18-13-12-17(3)16-19(18)21-15-11-9-7-5-2/h16H,4-15H2,1-3H3.
What are the key properties of 1,2-dihexoxy-4-methylcyclohexa-1,3-diene?
1,2-dihexoxy-4-methylcyclohexa-1,3-diene has a molecular weight of 294.48 g/mol, XLogP of 6.13, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihexoxy-4-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143240597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).