ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane

C13H26O — CID 171788325

IUPACethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane
SMILESC=C(C)/C(C)=C1\CCCO1.CC.CC
InChIInChI=1S/C9H14O.2C2H6/c1-7(2)8(3)9-5-4-6-10-9;2*1-2/h1,4-6H2,2-3H3;2*1-2H3/b9-8+;;
InChIKeyFQJOJLOAPBXQTR-YEUQMBKVSA-N
MW198.35 g/mol
LogP4.70
Rot. Bonds1

About ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane

ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane (PubChem CID 171788325) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane.

Molecular Properties

Compound Nameethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane
PubChem CID171788325
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nameethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane
SMILESC=C(C)/C(C)=C1\CCCO1.CC.CC
InChIInChI=1S/C9H14O.2C2H6/c1-7(2)8(3)9-5-4-6-10-9;2*1-2/h1,4-6H2,2-3H3;2*1-2H3/b9-8+;;
InChIKeyFQJOJLOAPBXQTR-YEUQMBKVSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2Z)-2-(oxolan-2-ylidene)propanoyl] 2-methylprop-2-eneperoxoate
CID 140575439
(3E)-3-(3-methylbut-3-en-2-ylidene)oxane
CID 171788827
ethane;2-methylideneoxolane
CID 90904497
[(E)-methoxy(oxolan-2-ylidene)methoxy]-trimethylsilane
CID 67099940
sodium;2-methylprop-2-enoate;oxetan-2-one
CID 174930235
2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane
CID 168899023
ethyl (2E)-2-(oxolan-2-ylidene)butanoate
CID 11344407
2-methylprop-2-eneperoxoic acid;oxepan-2-one
CID 87105082
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
oxolan-2-one;1,1,2,2-tetrachloroethene
CID 87987931
2-(oxolan-2-ylidene)-2-phenylacetic acid
CID 131887828
(2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide
CID 15363548

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane?
The IUPAC name of ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane (CID 171788325) is ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane.
What is the SMILES notation for ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane?
The canonical SMILES for ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane is C=C(C)/C(C)=C1\CCCO1.CC.CC.
What is the InChIKey of ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane?
The InChIKey is FQJOJLOAPBXQTR-YEUQMBKVSA-N. The full InChI is InChI=1S/C9H14O.2C2H6/c1-7(2)8(3)9-5-4-6-10-9;2*1-2/h1,4-6H2,2-3H3;2*1-2H3/b9-8+;;.
What are the key properties of ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane?
ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane has a molecular weight of 198.35 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane is sourced from PubChem (CID 171788325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).