2-(cyclohexylmethylidene)oxirane

C9H14O — CID 71369690

IUPAC2-(cyclohexylmethylidene)oxirane
SMILESC(=C1CO1)C1CCCCC1
InChIInChI=1S/C9H14O/c1-2-4-8(5-3-1)6-9-7-10-9/h6,8H,1-5,7H2
InChIKeyBPBYNWADOKWOFU-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.48
Rot. Bonds1

About 2-(cyclohexylmethylidene)oxirane

2-(cyclohexylmethylidene)oxirane (PubChem CID 71369690) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(cyclohexylmethylidene)oxirane.

Molecular Properties

Compound Name2-(cyclohexylmethylidene)oxirane
PubChem CID71369690
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(cyclohexylmethylidene)oxirane
SMILESC(=C1CO1)C1CCCCC1
InChIInChI=1S/C9H14O/c1-2-4-8(5-3-1)6-9-7-10-9/h6,8H,1-5,7H2
InChIKeyBPBYNWADOKWOFU-UHFFFAOYSA-N
XLogP2.48
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

cyclopropylidenemethylcyclopentane
CID 148648629
2-cyclohexylethenylcyclohexane
CID 4124459
(3E)-3-(cyclohexylmethylidene)chromen-4-one
CID 135076028
(2E,8E)-2,8-bis(cyclohexylmethylidene)cyclooctan-1-one
CID 6446444
[2-(cyclohexylmethylidene)cyclopropyl]hydrazine
CID 150252564
(1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol
CID 11542876
cyclodecanecarbaldehyde
CID 13240747
[(E)-(2-cyclohexylcyclopentylidene)methyl]cyclohexane
CID 58552469
propa-1,2-dienylcyclooctane
CID 86021125
cyclooctane-1,4-dicarbaldehyde
CID 19884381
ethenylcyclononane
CID 123465789
CID 102475153
CID 102475153

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylidene)oxirane?
The IUPAC name of 2-(cyclohexylmethylidene)oxirane (CID 71369690) is 2-(cyclohexylmethylidene)oxirane.
What is the SMILES notation for 2-(cyclohexylmethylidene)oxirane?
The canonical SMILES for 2-(cyclohexylmethylidene)oxirane is C(=C1CO1)C1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylidene)oxirane?
The InChIKey is BPBYNWADOKWOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-4-8(5-3-1)6-9-7-10-9/h6,8H,1-5,7H2.
What are the key properties of 2-(cyclohexylmethylidene)oxirane?
2-(cyclohexylmethylidene)oxirane has a molecular weight of 138.21 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 2-(cyclohexylmethylidene)oxirane is sourced from PubChem (CID 71369690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).