1-methoxy-2-methylidenecycloheptane

C9H16O — CID 13493189

IUPAC1-methoxy-2-methylidenecycloheptane
SMILESC=C1CCCCCC1OC
InChIInChI=1S/C9H16O/c1-8-6-4-3-5-7-9(8)10-2/h9H,1,3-7H2,2H3
InChIKeyOPXRTPRIWXQLRZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds1

About 1-methoxy-2-methylidenecycloheptane

1-methoxy-2-methylidenecycloheptane (PubChem CID 13493189) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-methoxy-2-methylidenecycloheptane.

Molecular Properties

Compound Name1-methoxy-2-methylidenecycloheptane
PubChem CID13493189
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-methoxy-2-methylidenecycloheptane
SMILESC=C1CCCCCC1OC
InChIInChI=1S/C9H16O/c1-8-6-4-3-5-7-9(8)10-2/h9H,1,3-7H2,2H3
InChIKeyOPXRTPRIWXQLRZ-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylidenecycloheptane?
The IUPAC name of 1-methoxy-2-methylidenecycloheptane (CID 13493189) is 1-methoxy-2-methylidenecycloheptane.
What is the SMILES notation for 1-methoxy-2-methylidenecycloheptane?
The canonical SMILES for 1-methoxy-2-methylidenecycloheptane is C=C1CCCCCC1OC.
What is the InChIKey of 1-methoxy-2-methylidenecycloheptane?
The InChIKey is OPXRTPRIWXQLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8-6-4-3-5-7-9(8)10-2/h9H,1,3-7H2,2H3.
What are the key properties of 1-methoxy-2-methylidenecycloheptane?
1-methoxy-2-methylidenecycloheptane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylidenecycloheptane is sourced from PubChem (CID 13493189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).