ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane

C15H28O — CID 142324708

IUPACethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane
SMILESC=C/C=C\C(=C)C.CC.CC1CCOCC1
InChIInChI=1S/C7H10.C6H12O.C2H6/c1-4-5-6-7(2)3;1-6-2-4-7-5-3-6;1-2/h4-6H,1-2H2,3H3;6H,2-5H2,1H3;1-2H3/b6-5-;;
InChIKeyXWECOKMNYCGJLH-XNOMRPDFSA-N
MW224.39 g/mol
LogP4.76
Rot. Bonds2

About ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane

ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane (PubChem CID 142324708) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane.

Molecular Properties

Compound Nameethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane
PubChem CID142324708
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Nameethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane
SMILESC=C/C=C\C(=C)C.CC.CC1CCOCC1
InChIInChI=1S/C7H10.C6H12O.C2H6/c1-4-5-6-7(2)3;1-6-2-4-7-5-3-6;1-2/h4-6H,1-2H2,3H3;6H,2-5H2,1H3;1-2H3/b6-5-;;
InChIKeyXWECOKMNYCGJLH-XNOMRPDFSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-prop-1-enyl]oxane
CID 21691514
(E)-4-(3,3-dimethylbut-1-en-1-yl)tetrahydro-2H-pyran
CID 126642344
4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane
CID 167014378
(4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium
CID 134861705
(3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene
CID 142823394
4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane
CID 143270762
2-(3-Methoxypropyl)cyclohexa-1,3-diene
CID 14290347
4-Methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene
CID 57315846
4-[(E)-but-1-enyl]oxane
CID 57602852
3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane
CID 58718712
4-Prop-2-enylideneoxane
CID 59255538
4-Prop-2-enylideneoxane
CID 59255539

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane?
The IUPAC name of ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane (CID 142324708) is ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane.
What is the SMILES notation for ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane?
The canonical SMILES for ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane is C=C/C=C\C(=C)C.CC.CC1CCOCC1.
What is the InChIKey of ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane?
The InChIKey is XWECOKMNYCGJLH-XNOMRPDFSA-N. The full InChI is InChI=1S/C7H10.C6H12O.C2H6/c1-4-5-6-7(2)3;1-6-2-4-7-5-3-6;1-2/h4-6H,1-2H2,3H3;6H,2-5H2,1H3;1-2H3/b6-5-;;.
What are the key properties of ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane?
ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane has a molecular weight of 224.39 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-methylhexa-1,3,5-triene;4-methyloxane is sourced from PubChem (CID 142324708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).