ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane

C13H24O — CID 169193248

IUPACethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane
SMILESC/C=C(\C=C1/CCCO1)C(C)C.CC
InChIInChI=1S/C11H18O.C2H6/c1-4-10(9(2)3)8-11-6-5-7-12-11;1-2/h4,8-9H,5-7H2,1-3H3;1-2H3/b10-4+,11-8+;
InChIKeyBLLMWPSNOOEUGG-GPHUHHCJSA-N
MW196.33 g/mol
LogP4.31
Rot. Bonds2

About ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane

ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane (PubChem CID 169193248) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane.

Molecular Properties

Compound Nameethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane
PubChem CID169193248
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Nameethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane
SMILESC/C=C(\C=C1/CCCO1)C(C)C.CC
InChIInChI=1S/C11H18O.C2H6/c1-4-10(9(2)3)8-11-6-5-7-12-11;1-2/h4,8-9H,5-7H2,1-3H3;1-2H3/b10-4+,11-8+;
InChIKeyBLLMWPSNOOEUGG-GPHUHHCJSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (2E)-2-(oxolan-2-ylidene)acetate
CID 12999931
(1E)-1-(oxolan-2-ylidene)hexan-2-one
CID 10855887
methyl (2Z)-2-(oxepan-2-ylidene)acetate
CID 13430116
ethane;2-methylideneoxolane
CID 90904497
1-methyl-4-[(E)-oxolan-2-ylidenemethyl]piperazine
CID 23271502
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
[(E)-oxolan-2-ylidenemethyl] acetate;propane-2,2-diol
CID 143998136
methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium
CID 70618338
dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium
CID 166727995
3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium
CID 91929123
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
(1-carboxy-1-phenylbutan-2-yl)-dihydroxy-(oxolan-2-ylidenemethyl)phosphanium
CID 56989826

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane?
The IUPAC name of ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane (CID 169193248) is ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane.
What is the SMILES notation for ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane?
The canonical SMILES for ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane is C/C=C(\C=C1/CCCO1)C(C)C.CC.
What is the InChIKey of ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane?
The InChIKey is BLLMWPSNOOEUGG-GPHUHHCJSA-N. The full InChI is InChI=1S/C11H18O.C2H6/c1-4-10(9(2)3)8-11-6-5-7-12-11;1-2/h4,8-9H,5-7H2,1-3H3;1-2H3/b10-4+,11-8+;.
What are the key properties of ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane?
ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane has a molecular weight of 196.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane is sourced from PubChem (CID 169193248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).