1-ethenyl-2-methoxycyclohexene

C9H14O — CID 12609312

IUPAC1-ethenyl-2-methoxycyclohexene
SMILESC=CC1=C(OC)CCCC1
InChIInChI=1S/C9H14O/c1-3-8-6-4-5-7-9(8)10-2/h3H,1,4-7H2,2H3
InChIKeyUSSUWYNHHWHNAE-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.65
Rot. Bonds2

About 1-ethenyl-2-methoxycyclohexene

1-ethenyl-2-methoxycyclohexene (PubChem CID 12609312) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-ethenyl-2-methoxycyclohexene.

Molecular Properties

Compound Name1-ethenyl-2-methoxycyclohexene
PubChem CID12609312
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-ethenyl-2-methoxycyclohexene
SMILESC=CC1=C(OC)CCCC1
InChIInChI=1S/C9H14O/c1-3-8-6-4-5-7-9(8)10-2/h3H,1,4-7H2,2H3
InChIKeyUSSUWYNHHWHNAE-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methoxycyclohexene?
The IUPAC name of 1-ethenyl-2-methoxycyclohexene (CID 12609312) is 1-ethenyl-2-methoxycyclohexene.
What is the SMILES notation for 1-ethenyl-2-methoxycyclohexene?
The canonical SMILES for 1-ethenyl-2-methoxycyclohexene is C=CC1=C(OC)CCCC1.
What is the InChIKey of 1-ethenyl-2-methoxycyclohexene?
The InChIKey is USSUWYNHHWHNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-8-6-4-5-7-9(8)10-2/h3H,1,4-7H2,2H3.
What are the key properties of 1-ethenyl-2-methoxycyclohexene?
1-ethenyl-2-methoxycyclohexene has a molecular weight of 138.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methoxycyclohexene is sourced from PubChem (CID 12609312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).