ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane

C15H26O — CID 142234221

IUPACethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane
SMILESC=C1COCC/C1=C(/C=C\C)C(C)C.CC
InChIInChI=1S/C13H20O.C2H6/c1-5-6-12(10(2)3)13-7-8-14-9-11(13)4;1-2/h5-6,10H,4,7-9H2,1-3H3;1-2H3/b6-5-,13-12+;
InChIKeySGDTYTXAUIOKLX-PYTOCAFISA-N
MW222.37 g/mol
LogP4.52
Rot. Bonds2

About ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane

ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane (PubChem CID 142234221) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane.

Molecular Properties

Compound Nameethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane
PubChem CID142234221
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Nameethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane
SMILESC=C1COCC/C1=C(/C=C\C)C(C)C.CC
InChIInChI=1S/C13H20O.C2H6/c1-5-6-12(10(2)3)13-7-8-14-9-11(13)4;1-2/h5-6,10H,4,7-9H2,1-3H3;1-2H3/b6-5-,13-12+;
InChIKeySGDTYTXAUIOKLX-PYTOCAFISA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4Z)-3-methylidene-4-[(Z)-pent-3-en-2-ylidene]oxane
CID 142171521
(3E,4Z)-3,4-di(ethylidene)oxane;ethane
CID 143460049
3-ethylideneoxolane
CID 123791702
(3Z)-3-ethylideneoxan-4-one
CID 164643553
(5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline
CID 168983877
3-methylideneoxolane
CID 11815817
(1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane
CID 89467509
4-ethylidene-3-prop-2-enylideneoxane
CID 91078972
(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
CID 126549325
7-methyl-4-methylideneocta-2,5-diene
CID 123740192
5-ethenyl-4-prop-1-en-2-yl-3,6-dihydro-2H-pyran
CID 142279330
2-methyl-N-(oxolan-3-ylidene)propanamide
CID 171523150

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane?
The IUPAC name of ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane (CID 142234221) is ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane.
What is the SMILES notation for ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane?
The canonical SMILES for ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane is C=C1COCC/C1=C(/C=C\C)C(C)C.CC.
What is the InChIKey of ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane?
The InChIKey is SGDTYTXAUIOKLX-PYTOCAFISA-N. The full InChI is InChI=1S/C13H20O.C2H6/c1-5-6-12(10(2)3)13-7-8-14-9-11(13)4;1-2/h5-6,10H,4,7-9H2,1-3H3;1-2H3/b6-5-,13-12+;.
What are the key properties of ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane?
ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane has a molecular weight of 222.37 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane is sourced from PubChem (CID 142234221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).