ethane;(Z)-5-methoxyhex-2-ene

C9H20O — CID 145378965

IUPACethane;(Z)-5-methoxyhex-2-ene
SMILESC/C=C\CC(C)OC.CC
InChIInChI=1S/C7H14O.C2H6/c1-4-5-6-7(2)8-3;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b5-4-;
InChIKeyHAERKJAKUNPIKK-MKWAYWHRSA-N
MW144.26 g/mol
LogP3.01
Rot. Bonds3

About ethane;(Z)-5-methoxyhex-2-ene

ethane;(Z)-5-methoxyhex-2-ene (PubChem CID 145378965) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is ethane;(Z)-5-methoxyhex-2-ene.

Molecular Properties

Compound Nameethane;(Z)-5-methoxyhex-2-ene
PubChem CID145378965
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Nameethane;(Z)-5-methoxyhex-2-ene
SMILESC/C=C\CC(C)OC.CC
InChIInChI=1S/C7H14O.C2H6/c1-4-5-6-7(2)8-3;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b5-4-;
InChIKeyHAERKJAKUNPIKK-MKWAYWHRSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-5-methylhex-2-ene
CID 143114143
5-(fluoromethoxy)hex-2-ene
CID 123942986
[(E)-hex-4-en-2-yl] formate
CID 14644553
5-chloro-5-methoxypent-2-ene
CID 173279863
ethane;5-methylhex-2-ene;propane
CID 143336274
(E)-5-methoxy-6,6-dimethylhept-2-ene
CID 134995972
5-bromohex-2-ene
CID 53438987
2-(hex-4-en-2-yloxymethyl)oxirane
CID 89335517
(NE)-N-(3-methoxybutylidene)hydroxylamine
CID 177477593
(E)-5-methylhept-2-ene
CID 5364849
(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene
CID 102155570
(3S,5Z)-3-methylhepta-1,5-diene
CID 24884419

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-5-methoxyhex-2-ene?
The IUPAC name of ethane;(Z)-5-methoxyhex-2-ene (CID 145378965) is ethane;(Z)-5-methoxyhex-2-ene.
What is the SMILES notation for ethane;(Z)-5-methoxyhex-2-ene?
The canonical SMILES for ethane;(Z)-5-methoxyhex-2-ene is C/C=C\CC(C)OC.CC.
What is the InChIKey of ethane;(Z)-5-methoxyhex-2-ene?
The InChIKey is HAERKJAKUNPIKK-MKWAYWHRSA-N. The full InChI is InChI=1S/C7H14O.C2H6/c1-4-5-6-7(2)8-3;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b5-4-;.
What are the key properties of ethane;(Z)-5-methoxyhex-2-ene?
ethane;(Z)-5-methoxyhex-2-ene has a molecular weight of 144.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-5-methoxyhex-2-ene is sourced from PubChem (CID 145378965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).