1-(methoxymethyl)cycloheptene

C9H16O — CID 66889077

IUPAC1-(methoxymethyl)cycloheptene
SMILESCOCC1=CCCCCC1
InChIInChI=1S/C9H16O/c1-10-8-9-6-4-2-3-5-7-9/h6H,2-5,7-8H2,1H3
InChIKeyQNQSZNCLTVWREV-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds2

About 1-(methoxymethyl)cycloheptene

1-(methoxymethyl)cycloheptene (PubChem CID 66889077) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(methoxymethyl)cycloheptene.

Molecular Properties

Compound Name1-(methoxymethyl)cycloheptene
PubChem CID66889077
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(methoxymethyl)cycloheptene
SMILESCOCC1=CCCCCC1
InChIInChI=1S/C9H16O/c1-10-8-9-6-4-2-3-5-7-9/h6H,2-5,7-8H2,1H3
InChIKeyQNQSZNCLTVWREV-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene
CID 66889881
cyclododecen-1-ylmethanol
CID 70464862
cyclododecen-1-ylmethanamine
CID 70571219
1-(2-methoxyethyl)cyclopentene
CID 23262422
(1E)-1-(methylsulfanylmethyl)cyclooctene
CID 87205341
1-(cyclohexen-1-yl)-5-methoxypentan-2-amine
CID 114857019
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
1-(2-methoxypropan-2-yloxymethyl)cyclopentene
CID 66827692
1-butylcyclononene
CID 56981158
2-(Cyclohex-1-en-1-yl)ethyl
CID 57423167
N-(cyclohepten-1-ylmethyl)propan-2-amine
CID 106653004
1-(methylsulfinylmethyl)cycloheptene
CID 16743007

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)cycloheptene?
The IUPAC name of 1-(methoxymethyl)cycloheptene (CID 66889077) is 1-(methoxymethyl)cycloheptene.
What is the SMILES notation for 1-(methoxymethyl)cycloheptene?
The canonical SMILES for 1-(methoxymethyl)cycloheptene is COCC1=CCCCCC1.
What is the InChIKey of 1-(methoxymethyl)cycloheptene?
The InChIKey is QNQSZNCLTVWREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-10-8-9-6-4-2-3-5-7-9/h6H,2-5,7-8H2,1H3.
What are the key properties of 1-(methoxymethyl)cycloheptene?
1-(methoxymethyl)cycloheptene has a molecular weight of 140.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)cycloheptene is sourced from PubChem (CID 66889077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).