[4-(methoxymethylidene)cyclohexyl]cycloheptane

C15H26O — CID 118360343

IUPAC[4-(methoxymethylidene)cyclohexyl]cycloheptane
SMILESCOC=C1CCC(C2CCCCCC2)CC1
InChIInChI=1S/C15H26O/c1-16-12-13-8-10-15(11-9-13)14-6-4-2-3-5-7-14/h12,14-15H,2-11H2,1H3/b13-12-
InChIKeyDQOSGJLZDGOWJZ-SEYXRHQNSA-N
MW222.37 g/mol
LogP4.68
Rot. Bonds2

About [4-(methoxymethylidene)cyclohexyl]cycloheptane

[4-(methoxymethylidene)cyclohexyl]cycloheptane (PubChem CID 118360343) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is [4-(methoxymethylidene)cyclohexyl]cycloheptane.

Molecular Properties

Compound Name[4-(methoxymethylidene)cyclohexyl]cycloheptane
PubChem CID118360343
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name[4-(methoxymethylidene)cyclohexyl]cycloheptane
SMILESCOC=C1CCC(C2CCCCCC2)CC1
InChIInChI=1S/C15H26O/c1-16-12-13-8-10-15(11-9-13)14-6-4-2-3-5-7-14/h12,14-15H,2-11H2,1H3/b13-12-
InChIKeyDQOSGJLZDGOWJZ-SEYXRHQNSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethylidene)cyclohexyl]cycloheptane?
The IUPAC name of [4-(methoxymethylidene)cyclohexyl]cycloheptane (CID 118360343) is [4-(methoxymethylidene)cyclohexyl]cycloheptane.
What is the SMILES notation for [4-(methoxymethylidene)cyclohexyl]cycloheptane?
The canonical SMILES for [4-(methoxymethylidene)cyclohexyl]cycloheptane is COC=C1CCC(C2CCCCCC2)CC1.
What is the InChIKey of [4-(methoxymethylidene)cyclohexyl]cycloheptane?
The InChIKey is DQOSGJLZDGOWJZ-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H26O/c1-16-12-13-8-10-15(11-9-13)14-6-4-2-3-5-7-14/h12,14-15H,2-11H2,1H3/b13-12-.
What are the key properties of [4-(methoxymethylidene)cyclohexyl]cycloheptane?
[4-(methoxymethylidene)cyclohexyl]cycloheptane has a molecular weight of 222.37 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethylidene)cyclohexyl]cycloheptane is sourced from PubChem (CID 118360343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).