1-methyl-2-octoxycyclohexene

C15H28O — CID 70525122

IUPAC1-methyl-2-octoxycyclohexene
SMILESCCCCCCCCOC1=C(C)CCCC1
InChIInChI=1S/C15H28O/c1-3-4-5-6-7-10-13-16-15-12-9-8-11-14(15)2/h3-13H2,1-2H3
InChIKeyKILRDNIKOKIERK-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.21
Rot. Bonds8

About 1-methyl-2-octoxycyclohexene

1-methyl-2-octoxycyclohexene (PubChem CID 70525122) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-methyl-2-octoxycyclohexene.

Molecular Properties

Compound Name1-methyl-2-octoxycyclohexene
PubChem CID70525122
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-methyl-2-octoxycyclohexene
SMILESCCCCCCCCOC1=C(C)CCCC1
InChIInChI=1S/C15H28O/c1-3-4-5-6-7-10-13-16-15-12-9-8-11-14(15)2/h3-13H2,1-2H3
InChIKeyKILRDNIKOKIERK-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-dodecoxy-3,6,7,10,11-pentahexoxytriphenylene
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CID 78070234
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
2,3-dibutoxy-6,7,10,11-tetrakis-decoxytriphenylene
CID 86203884
2,3,6,7,10-pentahexoxy-11-[3-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypropoxy]triphenylene
CID 100981965
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-octoxycyclohexene?
The IUPAC name of 1-methyl-2-octoxycyclohexene (CID 70525122) is 1-methyl-2-octoxycyclohexene.
What is the SMILES notation for 1-methyl-2-octoxycyclohexene?
The canonical SMILES for 1-methyl-2-octoxycyclohexene is CCCCCCCCOC1=C(C)CCCC1.
What is the InChIKey of 1-methyl-2-octoxycyclohexene?
The InChIKey is KILRDNIKOKIERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-4-5-6-7-10-13-16-15-12-9-8-11-14(15)2/h3-13H2,1-2H3.
What are the key properties of 1-methyl-2-octoxycyclohexene?
1-methyl-2-octoxycyclohexene has a molecular weight of 224.39 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-octoxycyclohexene is sourced from PubChem (CID 70525122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).