1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene

C19H28O2 — CID 144561096

IUPAC1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene
SMILESC=C=CC(c1ccc(OC(OC)C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H28O2/c1-8-9-17(14(2)3)15-10-12-16(13-11-15)21-18(20-7)19(4,5)6/h9-14,17-18H,1H2,2-7H3
InChIKeyHVCZPZVSIYAPAO-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.16
Rot. Bonds6

About 1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene

1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene (PubChem CID 144561096) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene.

Molecular Properties

Compound Name1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene
PubChem CID144561096
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene
SMILESC=C=CC(c1ccc(OC(OC)C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H28O2/c1-8-9-17(14(2)3)15-10-12-16(13-11-15)21-18(20-7)19(4,5)6/h9-14,17-18H,1H2,2-7H3
InChIKeyHVCZPZVSIYAPAO-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene 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-(5,5-dimethylhexan-3-yl)-4-(1-methoxy-2,2-dimethylpropoxy)benzene
CID 123140500
1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene
CID 23504250
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-propan-2-yloxy-4-(2,5,5-trimethylhexan-3-yl)benzene
CID 123364737
1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol
CID 116942097
1-[4-(dimethoxymethyl)phenoxy]ethanol
CID 18551503
1-methoxy-4-(1-methoxyprop-2-enyl)benzene
CID 14594939
1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene
CID 90324406
1-(1-chloro-2-methylpropyl)-4-methoxybenzene
CID 61081165
1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene
CID 142044408
4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 112508783

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene?
The IUPAC name of 1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene (CID 144561096) is 1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene.
What is the SMILES notation for 1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene?
The canonical SMILES for 1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene is C=C=CC(c1ccc(OC(OC)C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene?
The InChIKey is HVCZPZVSIYAPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-8-9-17(14(2)3)15-10-12-16(13-11-15)21-18(20-7)19(4,5)6/h9-14,17-18H,1H2,2-7H3.
What are the key properties of 1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene?
1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene has a molecular weight of 288.43 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2,2-dimethylpropoxy)-4-(2-methylhexa-4,5-dien-3-yl)benzene is sourced from PubChem (CID 144561096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).