(2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane

C15H26O — CID 143678786

IUPAC(2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane
SMILESC=C1CCCC(=O)/C1=C/C=C\C.CC.CC
InChIInChI=1S/C11H14O.2C2H6/c1-3-4-7-10-9(2)6-5-8-11(10)12;2*1-2/h3-4,7H,2,5-6,8H2,1H3;2*1-2H3/b4-3-,10-7+;;
InChIKeyAMDNMMSRLSCZOD-PLDSYRIRSA-N
MW222.37 g/mol
LogP4.85
Rot. Bonds1

About (2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane

(2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane (PubChem CID 143678786) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane
PubChem CID143678786
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane
SMILESC=C1CCCC(=O)/C1=C/C=C\C.CC.CC
InChIInChI=1S/C11H14O.2C2H6/c1-3-4-7-10-9(2)6-5-8-11(10)12;2*1-2/h3-4,7H,2,5-6,8H2,1H3;2*1-2H3/b4-3-,10-7+;;
InChIKeyAMDNMMSRLSCZOD-PLDSYRIRSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane (CID 143678786) is (2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane is C=C1CCCC(=O)/C1=C/C=C\C.CC.CC.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane?
The InChIKey is AMDNMMSRLSCZOD-PLDSYRIRSA-N. The full InChI is InChI=1S/C11H14O.2C2H6/c1-3-4-7-10-9(2)6-5-8-11(10)12;2*1-2/h3-4,7H,2,5-6,8H2,1H3;2*1-2H3/b4-3-,10-7+;;.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane?
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane has a molecular weight of 222.37 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane is sourced from PubChem (CID 143678786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).