hexan-2-ylidenecyclohexane

C12H22 — CID 12841284

IUPAChexan-2-ylidenecyclohexane
SMILESCCCCC(C)=C1CCCCC1
InChIInChI=1S/C12H22/c1-3-4-8-11(2)12-9-6-5-7-10-12/h3-10H2,1-2H3
InChIKeyXHYCFXZUPRVDOM-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.46
Rot. Bonds3

About hexan-2-ylidenecyclohexane

hexan-2-ylidenecyclohexane (PubChem CID 12841284) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is hexan-2-ylidenecyclohexane.

Molecular Properties

Compound Namehexan-2-ylidenecyclohexane
PubChem CID12841284
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Namehexan-2-ylidenecyclohexane
SMILESCCCCC(C)=C1CCCCC1
InChIInChI=1S/C12H22/c1-3-4-8-11(2)12-9-6-5-7-10-12/h3-10H2,1-2H3
InChIKeyXHYCFXZUPRVDOM-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.46
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 hexan-2-ylidenecyclohexane?
The IUPAC name of hexan-2-ylidenecyclohexane (CID 12841284) is hexan-2-ylidenecyclohexane.
What is the SMILES notation for hexan-2-ylidenecyclohexane?
The canonical SMILES for hexan-2-ylidenecyclohexane is CCCCC(C)=C1CCCCC1.
What is the InChIKey of hexan-2-ylidenecyclohexane?
The InChIKey is XHYCFXZUPRVDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-4-8-11(2)12-9-6-5-7-10-12/h3-10H2,1-2H3.
What are the key properties of hexan-2-ylidenecyclohexane?
hexan-2-ylidenecyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-ylidenecyclohexane is sourced from PubChem (CID 12841284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).