1-methoxycycloheptene

C8H14O — CID 11029851

IUPAC1-methoxycycloheptene
SMILESCOC1=CCCCCC1
InChIInChI=1S/C8H14O/c1-9-8-6-4-2-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyUJAXECDGHCUIDF-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.48
Rot. Bonds1

About 1-methoxycycloheptene

1-methoxycycloheptene (PubChem CID 11029851) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-methoxycycloheptene.

Molecular Properties

Compound Name1-methoxycycloheptene
PubChem CID11029851
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-methoxycycloheptene
SMILESCOC1=CCCCCC1
InChIInChI=1S/C8H14O/c1-9-8-6-4-2-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyUJAXECDGHCUIDF-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxycycloheptene?
The IUPAC name of 1-methoxycycloheptene (CID 11029851) is 1-methoxycycloheptene.
What is the SMILES notation for 1-methoxycycloheptene?
The canonical SMILES for 1-methoxycycloheptene is COC1=CCCCCC1.
What is the InChIKey of 1-methoxycycloheptene?
The InChIKey is UJAXECDGHCUIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-9-8-6-4-2-3-5-7-8/h6H,2-5,7H2,1H3.
What are the key properties of 1-methoxycycloheptene?
1-methoxycycloheptene has a molecular weight of 126.20 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycycloheptene is sourced from PubChem (CID 11029851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).