ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene

C17H28O2 — CID 143806665

IUPACethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene
SMILESCC.COCCCC/C=C/c1cc(C)ccc1OC
InChIInChI=1S/C15H22O2.C2H6/c1-13-9-10-15(17-3)14(12-13)8-6-4-5-7-11-16-2;1-2/h6,8-10,12H,4-5,7,11H2,1-3H3;1-2H3/b8-6+;
InChIKeyCQYFZDADNWLSLV-WVLIHFOGSA-N
MW264.41 g/mol
LogP4.86
Rot. Bonds7

About ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene

ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene (PubChem CID 143806665) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene.

Molecular Properties

Compound Nameethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene
PubChem CID143806665
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Nameethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene
SMILESCC.COCCCC/C=C/c1cc(C)ccc1OC
InChIInChI=1S/C15H22O2.C2H6/c1-13-9-10-15(17-3)14(12-13)8-6-4-5-7-11-16-2;1-2/h6,8-10,12H,4-5,7,11H2,1-3H3;1-2H3/b8-6+;
InChIKeyCQYFZDADNWLSLV-WVLIHFOGSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143822214
ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143806752
ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol
CID 143822201
ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol
CID 143867312
(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
CID 143867297
ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene
CID 143806811
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene
CID 143806753
(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol
CID 143867243
tert-butyl N-[4-(2-methoxy-5-methylphenyl)but-3-enyl]carbamate
CID 170490365
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282
4-(2-methoxy-4-methylphenyl)but-3-ene-1-thiol
CID 170478230

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene?
The IUPAC name of ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene (CID 143806665) is ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene.
What is the SMILES notation for ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene?
The canonical SMILES for ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene is CC.COCCCC/C=C/c1cc(C)ccc1OC.
What is the InChIKey of ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene?
The InChIKey is CQYFZDADNWLSLV-WVLIHFOGSA-N. The full InChI is InChI=1S/C15H22O2.C2H6/c1-13-9-10-15(17-3)14(12-13)8-6-4-5-7-11-16-2;1-2/h6,8-10,12H,4-5,7,11H2,1-3H3;1-2H3/b8-6+;.
What are the key properties of ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene?
ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene has a molecular weight of 264.41 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene is sourced from PubChem (CID 143806665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).