ethane;4-ethoxy-2,4-dimethylpent-1-ene

C11H24O — CID 143164227

IUPACethane;4-ethoxy-2,4-dimethylpent-1-ene
SMILESC=C(C)CC(C)(C)OCC.CC
InChIInChI=1S/C9H18O.C2H6/c1-6-10-9(4,5)7-8(2)3;1-2/h2,6-7H2,1,3-5H3;1-2H3
InChIKeyNXEIVYISXVRDQL-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.79
Rot. Bonds4

About ethane;4-ethoxy-2,4-dimethylpent-1-ene

ethane;4-ethoxy-2,4-dimethylpent-1-ene (PubChem CID 143164227) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is ethane;4-ethoxy-2,4-dimethylpent-1-ene.

Molecular Properties

Compound Nameethane;4-ethoxy-2,4-dimethylpent-1-ene
PubChem CID143164227
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Nameethane;4-ethoxy-2,4-dimethylpent-1-ene
SMILESC=C(C)CC(C)(C)OCC.CC
InChIInChI=1S/C9H18O.C2H6/c1-6-10-9(4,5)7-8(2)3;1-2/h2,6-7H2,1,3-5H3;1-2H3
InChIKeyNXEIVYISXVRDQL-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.79
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

2-Methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 15032743
2-Methyl-4-(4-methylpent-4-en-2-yloxy)pent-1-ene
CID 20033936
4-Methoxy-2,4-dimethylpent-1-ene
CID 20657319
2-Ethoxy-4-methylidenehex-1-ene
CID 89122824
5-Butoxy-2,4-dimethylpent-1-ene
CID 89205246
2,4-Dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene
CID 89230320
2-Ethoxy-3-ethyl-4-methylpenta-1,4-diene
CID 89318231
4,4-Dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane
CID 89397951
4-Butoxy-4-methylhepta-1,6-diene
CID 90084396
2-Ethoxy-3,4-dimethylpenta-1,4-diene
CID 90193169
4-Butoxy-4-methylpent-1-ene
CID 90928323
4-Butoxy-4-methylhept-1-ene
CID 117663117

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-2,4-dimethylpent-1-ene?
The IUPAC name of ethane;4-ethoxy-2,4-dimethylpent-1-ene (CID 143164227) is ethane;4-ethoxy-2,4-dimethylpent-1-ene.
What is the SMILES notation for ethane;4-ethoxy-2,4-dimethylpent-1-ene?
The canonical SMILES for ethane;4-ethoxy-2,4-dimethylpent-1-ene is C=C(C)CC(C)(C)OCC.CC.
What is the InChIKey of ethane;4-ethoxy-2,4-dimethylpent-1-ene?
The InChIKey is NXEIVYISXVRDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C2H6/c1-6-10-9(4,5)7-8(2)3;1-2/h2,6-7H2,1,3-5H3;1-2H3.
What are the key properties of ethane;4-ethoxy-2,4-dimethylpent-1-ene?
ethane;4-ethoxy-2,4-dimethylpent-1-ene has a molecular weight of 172.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-2,4-dimethylpent-1-ene is sourced from PubChem (CID 143164227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).