2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene

C17H26O2 — CID 143859267

IUPAC2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene
SMILESCCC(CC)C/C=C(\C)c1cc(OC)ccc1OC
InChIInChI=1S/C17H26O2/c1-6-14(7-2)9-8-13(3)16-12-15(18-4)10-11-17(16)19-5/h8,10-12,14H,6-7,9H2,1-5H3/b13-8+
InChIKeyDMWZRQBCHWPKAQ-MDWZMJQESA-N
MW262.39 g/mol
LogP4.93
Rot. Bonds7

About 2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene

2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene (PubChem CID 143859267) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene
PubChem CID143859267
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene
SMILESCCC(CC)C/C=C(\C)c1cc(OC)ccc1OC
InChIInChI=1S/C17H26O2/c1-6-14(7-2)9-8-13(3)16-12-15(18-4)10-11-17(16)19-5/h8,10-12,14H,6-7,9H2,1-5H3/b13-8+
InChIKeyDMWZRQBCHWPKAQ-MDWZMJQESA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Z)-but-2-en-2-yl]-1,4-dimethoxybenzene
CID 10035483
methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate
CID 90051649
methyl (E)-3-(2,5-dimethoxyphenyl)but-2-enoate
CID 140902716
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
1-(2,5-dimethoxyphenyl)-3-ethylheptan-1-one
CID 114963735
1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707667
2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
CID 116930738
1-(2,5-dimethoxyphenyl)-3-methylbut-2-en-1-one
CID 14222811
butan-2-yl 2,5-dimethoxybenzenecarboperoxoate
CID 173265640
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2360410
2-[(2,5-dimethoxybenzoyl)amino]butanoic acid
CID 43387399
N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 112510921

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene (CID 143859267) is 2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene is CCC(CC)C/C=C(\C)c1cc(OC)ccc1OC.
What is the InChIKey of 2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene?
The InChIKey is DMWZRQBCHWPKAQ-MDWZMJQESA-N. The full InChI is InChI=1S/C17H26O2/c1-6-14(7-2)9-8-13(3)16-12-15(18-4)10-11-17(16)19-5/h8,10-12,14H,6-7,9H2,1-5H3/b13-8+.
What are the key properties of 2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene?
2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene has a molecular weight of 262.39 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene is sourced from PubChem (CID 143859267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).