(3-ethyl-5-methylhexan-2-ylidene)cyclobutane

C13H24 — CID 123584508

IUPAC(3-ethyl-5-methylhexan-2-ylidene)cyclobutane
SMILESCCC(CC(C)C)C(C)=C1CCC1
InChIInChI=1S/C13H24/c1-5-12(9-10(2)3)11(4)13-7-6-8-13/h10,12H,5-9H2,1-4H3
InChIKeyUETSRLVHAGARTB-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds4

About (3-ethyl-5-methylhexan-2-ylidene)cyclobutane

(3-ethyl-5-methylhexan-2-ylidene)cyclobutane (PubChem CID 123584508) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3-ethyl-5-methylhexan-2-ylidene)cyclobutane.

Molecular Properties

Compound Name(3-ethyl-5-methylhexan-2-ylidene)cyclobutane
PubChem CID123584508
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3-ethyl-5-methylhexan-2-ylidene)cyclobutane
SMILESCCC(CC(C)C)C(C)=C1CCC1
InChIInChI=1S/C13H24/c1-5-12(9-10(2)3)11(4)13-7-6-8-13/h10,12H,5-9H2,1-4H3
InChIKeyUETSRLVHAGARTB-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
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 (3-ethyl-5-methylhexan-2-ylidene)cyclobutane?
The IUPAC name of (3-ethyl-5-methylhexan-2-ylidene)cyclobutane (CID 123584508) is (3-ethyl-5-methylhexan-2-ylidene)cyclobutane.
What is the SMILES notation for (3-ethyl-5-methylhexan-2-ylidene)cyclobutane?
The canonical SMILES for (3-ethyl-5-methylhexan-2-ylidene)cyclobutane is CCC(CC(C)C)C(C)=C1CCC1.
What is the InChIKey of (3-ethyl-5-methylhexan-2-ylidene)cyclobutane?
The InChIKey is UETSRLVHAGARTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-12(9-10(2)3)11(4)13-7-6-8-13/h10,12H,5-9H2,1-4H3.
What are the key properties of (3-ethyl-5-methylhexan-2-ylidene)cyclobutane?
(3-ethyl-5-methylhexan-2-ylidene)cyclobutane has a molecular weight of 180.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methylhexan-2-ylidene)cyclobutane is sourced from PubChem (CID 123584508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).