(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane

C15H26 — CID 143536598

IUPAC(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane
SMILESC/C=C\C=C1\CCCCC\C1=C\C.CC
InChIInChI=1S/C13H20.C2H6/c1-3-5-9-13-11-8-6-7-10-12(13)4-2;1-2/h3-5,9H,6-8,10-11H2,1-2H3;1-2H3/b5-3-,12-4-,13-9-;
InChIKeyQWHXMTGCVJCWLE-UVOAWLNHSA-N
MW206.37 g/mol
LogP5.43
Rot. Bonds1

About (1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane

(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane (PubChem CID 143536598) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane.

Molecular Properties

Compound Name(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane
PubChem CID143536598
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane
SMILESC/C=C\C=C1\CCCCC\C1=C\C.CC
InChIInChI=1S/C13H20.C2H6/c1-3-5-9-13-11-8-6-7-10-12(13)4-2;1-2/h3-5,9H,6-8,10-11H2,1-2H3;1-2H3/b5-3-,12-4-,13-9-;
InChIKeyQWHXMTGCVJCWLE-UVOAWLNHSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane?
The IUPAC name of (1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane (CID 143536598) is (1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane.
What is the SMILES notation for (1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane?
The canonical SMILES for (1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane is C/C=C\C=C1\CCCCC\C1=C\C.CC.
What is the InChIKey of (1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane?
The InChIKey is QWHXMTGCVJCWLE-UVOAWLNHSA-N. The full InChI is InChI=1S/C13H20.C2H6/c1-3-5-9-13-11-8-6-7-10-12(13)4-2;1-2/h3-5,9H,6-8,10-11H2,1-2H3;1-2H3/b5-3-,12-4-,13-9-;.
What are the key properties of (1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane?
(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane has a molecular weight of 206.37 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane is sourced from PubChem (CID 143536598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).