[cyclohexyl(cyclopropylidene)methyl]cyclohexane

C16H26 — CID 11160297

IUPAC[cyclohexyl(cyclopropylidene)methyl]cyclohexane
SMILESC1CCC(C(=C2CC2)C2CCCCC2)CC1
InChIInChI=1S/C16H26/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyNDXLGHQMYAGVRY-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.24
Rot. Bonds2

About [cyclohexyl(cyclopropylidene)methyl]cyclohexane

[cyclohexyl(cyclopropylidene)methyl]cyclohexane (PubChem CID 11160297) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is [cyclohexyl(cyclopropylidene)methyl]cyclohexane.

Molecular Properties

Compound Name[cyclohexyl(cyclopropylidene)methyl]cyclohexane
PubChem CID11160297
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name[cyclohexyl(cyclopropylidene)methyl]cyclohexane
SMILESC1CCC(C(=C2CC2)C2CCCCC2)CC1
InChIInChI=1S/C16H26/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyNDXLGHQMYAGVRY-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [cyclohexyl(cyclopropylidene)methyl]cyclohexane?
The IUPAC name of [cyclohexyl(cyclopropylidene)methyl]cyclohexane (CID 11160297) is [cyclohexyl(cyclopropylidene)methyl]cyclohexane.
What is the SMILES notation for [cyclohexyl(cyclopropylidene)methyl]cyclohexane?
The canonical SMILES for [cyclohexyl(cyclopropylidene)methyl]cyclohexane is C1CCC(C(=C2CC2)C2CCCCC2)CC1.
What is the InChIKey of [cyclohexyl(cyclopropylidene)methyl]cyclohexane?
The InChIKey is NDXLGHQMYAGVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h13-14H,1-12H2.
What are the key properties of [cyclohexyl(cyclopropylidene)methyl]cyclohexane?
[cyclohexyl(cyclopropylidene)methyl]cyclohexane has a molecular weight of 218.38 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(cyclopropylidene)methyl]cyclohexane is sourced from PubChem (CID 11160297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).