1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene

C19H30O — CID 173467970

IUPAC1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene
SMILESC/C=C\C(c1ccc(OC(C)(C)CC)cc1)C(C)(C)C
InChIInChI=1S/C19H30O/c1-8-10-17(18(3,4)5)15-11-13-16(14-12-15)20-19(6,7)9-2/h8,10-14,17H,9H2,1-7H3/b10-8-
InChIKeyZYJBCRDHNORYAW-NTMALXAHSA-N
MW274.45 g/mol
LogP5.96
Rot. Bonds5

About 1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene

1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene (PubChem CID 173467970) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene.

Molecular Properties

Compound Name1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene
PubChem CID173467970
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene
SMILESC/C=C\C(c1ccc(OC(C)(C)CC)cc1)C(C)(C)C
InChIInChI=1S/C19H30O/c1-8-10-17(18(3,4)5)15-11-13-16(14-12-15)20-19(6,7)9-2/h8,10-14,17H,9H2,1-7H3/b10-8-
InChIKeyZYJBCRDHNORYAW-NTMALXAHSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)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-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
CID 145340247
5-(2-methylbutan-2-yloxy)-2-[5-(2-methylbutan-2-yloxy)-2-pyridinyl]pyridine
CID 69024589
1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22336719
[4-[2-methyl-1-[4-(2-methylbutan-2-yloxy)phenyl]propyl]phenyl] 2-ethyl-2-methylpentanoate
CID 138660253
1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene
CID 129038236
methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237
1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene
CID 21053289
2-methyl-4-(2-methylbutan-2-yloxy)aniline
CID 43436413

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene?
The IUPAC name of 1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene (CID 173467970) is 1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene.
What is the SMILES notation for 1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene?
The canonical SMILES for 1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene is C/C=C\C(c1ccc(OC(C)(C)CC)cc1)C(C)(C)C.
What is the InChIKey of 1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene?
The InChIKey is ZYJBCRDHNORYAW-NTMALXAHSA-N. The full InChI is InChI=1S/C19H30O/c1-8-10-17(18(3,4)5)15-11-13-16(14-12-15)20-19(6,7)9-2/h8,10-14,17H,9H2,1-7H3/b10-8-.
What are the key properties of 1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene?
1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene has a molecular weight of 274.45 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene is sourced from PubChem (CID 173467970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).