ethane;(Z)-1-methoxy-3-methylpent-2-ene

C9H20O — CID 168979167

IUPACethane;(Z)-1-methoxy-3-methylpent-2-ene
SMILESCC.CC/C(C)=C\COC
InChIInChI=1S/C7H14O.C2H6/c1-4-7(2)5-6-8-3;1-2/h5H,4,6H2,1-3H3;1-2H3/b7-5-;
InChIKeyDJYRNFVOVCUJPX-YJOCEBFMSA-N
MW144.26 g/mol
LogP3.02
Rot. Bonds3

About ethane;(Z)-1-methoxy-3-methylpent-2-ene

ethane;(Z)-1-methoxy-3-methylpent-2-ene (PubChem CID 168979167) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is ethane;(Z)-1-methoxy-3-methylpent-2-ene.

Molecular Properties

Compound Nameethane;(Z)-1-methoxy-3-methylpent-2-ene
PubChem CID168979167
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Nameethane;(Z)-1-methoxy-3-methylpent-2-ene
SMILESCC.CC/C(C)=C\COC
InChIInChI=1S/C7H14O.C2H6/c1-4-7(2)5-6-8-3;1-2/h5H,4,6H2,1-3H3;1-2H3/b7-5-;
InChIKeyDJYRNFVOVCUJPX-YJOCEBFMSA-N
XLogP3.02
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 ≤ 53.02
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

(Z)-1-methoxy-3-methylpent-2-ene
CID 102323192
(2Z,5Z)-1-methoxy-6-methylocta-2,5-diene
CID 142244448
(Z)-1,5-dimethoxy-3-methylpent-2-ene
CID 146216379
(E)-6-methoxy-4-methylhex-4-enal
CID 59967277
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
4-methoxybut-2-en-2-olate
CID 58028382
(6E)-8-methoxy-2,6-dimethylocta-1,6-diene
CID 87447778
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene
CID 20643241
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-en-1-amine
CID 76997051

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1-methoxy-3-methylpent-2-ene?
The IUPAC name of ethane;(Z)-1-methoxy-3-methylpent-2-ene (CID 168979167) is ethane;(Z)-1-methoxy-3-methylpent-2-ene.
What is the SMILES notation for ethane;(Z)-1-methoxy-3-methylpent-2-ene?
The canonical SMILES for ethane;(Z)-1-methoxy-3-methylpent-2-ene is CC.CC/C(C)=C\COC.
What is the InChIKey of ethane;(Z)-1-methoxy-3-methylpent-2-ene?
The InChIKey is DJYRNFVOVCUJPX-YJOCEBFMSA-N. The full InChI is InChI=1S/C7H14O.C2H6/c1-4-7(2)5-6-8-3;1-2/h5H,4,6H2,1-3H3;1-2H3/b7-5-;.
What are the key properties of ethane;(Z)-1-methoxy-3-methylpent-2-ene?
ethane;(Z)-1-methoxy-3-methylpent-2-ene has a molecular weight of 144.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-methoxy-3-methylpent-2-ene is sourced from PubChem (CID 168979167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).