1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene

C16H22O — CID 143140434

IUPAC1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene
SMILESC=CCC(CC=C)(OC)c1cccc(CC)c1
InChIInChI=1S/C16H22O/c1-5-11-16(17-4,12-6-2)15-10-8-9-14(7-3)13-15/h5-6,8-10,13H,1-2,7,11-12H2,3-4H3
InChIKeySNVJNJXIIYRZKL-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.24
Rot. Bonds7

About 1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene

1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene (PubChem CID 143140434) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene.

Molecular Properties

Compound Name1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene
PubChem CID143140434
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene
SMILESC=CCC(CC=C)(OC)c1cccc(CC)c1
InChIInChI=1S/C16H22O/c1-5-11-16(17-4,12-6-2)15-10-8-9-14(7-3)13-15/h5-6,8-10,13H,1-2,7,11-12H2,3-4H3
InChIKeySNVJNJXIIYRZKL-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945
2-(3-methoxyphenyl)-2-methylpent-4-enenitrile
CID 117049286
(1R)-1-(3-ethylphenyl)but-3-en-1-amine
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1-ethyl-3-(2-tritylsulfanylethyl)benzene
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1-bromo-3-ethylbenzene;ethane
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene?
The IUPAC name of 1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene (CID 143140434) is 1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene.
What is the SMILES notation for 1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene?
The canonical SMILES for 1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene is C=CCC(CC=C)(OC)c1cccc(CC)c1.
What is the InChIKey of 1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene?
The InChIKey is SNVJNJXIIYRZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-5-11-16(17-4,12-6-2)15-10-8-9-14(7-3)13-15/h5-6,8-10,13H,1-2,7,11-12H2,3-4H3.
What are the key properties of 1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene?
1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene has a molecular weight of 230.35 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methoxyhepta-1,6-dien-4-yl)benzene is sourced from PubChem (CID 143140434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).