4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene

C15H22O2 — CID 83928870

IUPAC4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene
SMILESCC/C=C\CC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22O2/c1-5-6-7-8-12(2)13-9-10-14(16-3)15(11-13)17-4/h6-7,9-12H,5,8H2,1-4H3/b7-6-
InChIKeyJJTPAFJYUBVPNK-SREVYHEPSA-N
MW234.34 g/mol
LogP4.16
Rot. Bonds6

About 4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene

4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene (PubChem CID 83928870) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene
PubChem CID83928870
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene
SMILESCC/C=C\CC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22O2/c1-5-6-7-8-12(2)13-9-10-14(16-3)15(11-13)17-4/h6-7,9-12H,5,8H2,1-4H3/b7-6-
InChIKeyJJTPAFJYUBVPNK-SREVYHEPSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene
CID 83936789
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane
CID 83928875
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene
CID 83936348
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene (CID 83928870) is 4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene is CC/C=C\CC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene?
The InChIKey is JJTPAFJYUBVPNK-SREVYHEPSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-6-7-8-12(2)13-9-10-14(16-3)15(11-13)17-4/h6-7,9-12H,5,8H2,1-4H3/b7-6-.
What are the key properties of 4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene?
4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene has a molecular weight of 234.34 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene is sourced from PubChem (CID 83928870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).