(2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane

C13H24 — CID 174822261

IUPAC(2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane
SMILESCC/C(C)=C1\C(C)CCCC1(C)C
InChIInChI=1S/C13H24/c1-6-10(2)12-11(3)8-7-9-13(12,4)5/h11H,6-9H2,1-5H3/b12-10+
InChIKeyDULOHRHRTPGPAL-ZRDIBKRKSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds1

About (2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane

(2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane (PubChem CID 174822261) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane.

Molecular Properties

Compound Name(2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane
PubChem CID174822261
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane
SMILESCC/C(C)=C1\C(C)CCCC1(C)C
InChIInChI=1S/C13H24/c1-6-10(2)12-11(3)8-7-9-13(12,4)5/h11H,6-9H2,1-5H3/b12-10+
InChIKeyDULOHRHRTPGPAL-ZRDIBKRKSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 (2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane?
The IUPAC name of (2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane (CID 174822261) is (2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane.
What is the SMILES notation for (2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane?
The canonical SMILES for (2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane is CC/C(C)=C1\C(C)CCCC1(C)C.
What is the InChIKey of (2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane?
The InChIKey is DULOHRHRTPGPAL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H24/c1-6-10(2)12-11(3)8-7-9-13(12,4)5/h11H,6-9H2,1-5H3/b12-10+.
What are the key properties of (2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane?
(2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane is sourced from PubChem (CID 174822261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).