ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene

C10H18O — CID 143500367

IUPACethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene
SMILESC=C/C=C\C(=C)COC.CC
InChIInChI=1S/C8H12O.C2H6/c1-4-5-6-8(2)7-9-3;1-2/h4-6H,1-2,7H2,3H3;1-2H3/b6-5-;
InChIKeyCTKOLPLBLGHTSA-YSMBQZINSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds4

About ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene

ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene (PubChem CID 143500367) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene
PubChem CID143500367
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nameethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene
SMILESC=C/C=C\C(=C)COC.CC
InChIInChI=1S/C8H12O.C2H6/c1-4-5-6-8(2)7-9-3;1-2/h4-6H,1-2,7H2,3H3;1-2H3/b6-5-;
InChIKeyCTKOLPLBLGHTSA-YSMBQZINSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
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

(3E)-1-methoxyhexa-3,5-dien-2-one
CID 131241079
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(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
7-methyl-5-methylideneocta-1,3-diene
CID 123347446
[(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane
CID 89174418
2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene
CID 144959851
ethane;methyl N-amino-N-[(4Z)-3-methylidenehepta-4,6-dienyl]carbamate
CID 143852842
(3Z)-8-methyl-5-methylidenenona-1,3-diene
CID 143490392
methane;(3Z)-5-methylidenedeca-1,3-diene
CID 142806939
[(3Z)-2-methylidenehexa-3,5-dienyl]hydrazine
CID 143800982
2-methylsulfanylhexa-1,3,5-triene
CID 123672655

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene?
The IUPAC name of ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene (CID 143500367) is ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene.
What is the SMILES notation for ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene?
The canonical SMILES for ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene is C=C/C=C\C(=C)COC.CC.
What is the InChIKey of ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene?
The InChIKey is CTKOLPLBLGHTSA-YSMBQZINSA-N. The full InChI is InChI=1S/C8H12O.C2H6/c1-4-5-6-8(2)7-9-3;1-2/h4-6H,1-2,7H2,3H3;1-2H3/b6-5-;.
What are the key properties of ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene?
ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene has a molecular weight of 154.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene is sourced from PubChem (CID 143500367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).