2-(2-methylpropoxy)pent-1-ene

C9H18O — CID 59125329

IUPAC2-(2-methylpropoxy)pent-1-ene
SMILESC=C(CCC)OCC(C)C
InChIInChI=1S/C9H18O/c1-5-6-9(4)10-7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyFQTDVFLBYCGGAJ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds5

About 2-(2-methylpropoxy)pent-1-ene

2-(2-methylpropoxy)pent-1-ene (PubChem CID 59125329) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-(2-methylpropoxy)pent-1-ene.

Molecular Properties

Compound Name2-(2-methylpropoxy)pent-1-ene
PubChem CID59125329
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-(2-methylpropoxy)pent-1-ene
SMILESC=C(CCC)OCC(C)C
InChIInChI=1S/C9H18O/c1-5-6-9(4)10-7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyFQTDVFLBYCGGAJ-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Vinyloxy-4-methyl-1-pentene
CID 143810
1-Hexene, 2-ethoxy-
CID 10376321
2-Ethoxy-4-methylpenta-1,4-diene
CID 12625765
2-Butoxybut-1-ene
CID 13211539
2-Butoxyhex-1-ene
CID 15578219
Ethyl 1-propylvinyl ether
CID 18509541
Ethyl 1-isopentylvinyl ether
CID 89670721
2-Ethoxy-3-methyl-1-butene
CID 143365
2-Isopropoxy-3-methyl-1-butene
CID 143366
3-Fluoro-4-methyl-2-propan-2-yloxypent-1-ene
CID 163762693
2-Sec-butoxy-3-methyl-1-butene
CID 143418
2-(3-Pentoxy)-3-methyl-1-butene
CID 143419

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)pent-1-ene?
The IUPAC name of 2-(2-methylpropoxy)pent-1-ene (CID 59125329) is 2-(2-methylpropoxy)pent-1-ene.
What is the SMILES notation for 2-(2-methylpropoxy)pent-1-ene?
The canonical SMILES for 2-(2-methylpropoxy)pent-1-ene is C=C(CCC)OCC(C)C.
What is the InChIKey of 2-(2-methylpropoxy)pent-1-ene?
The InChIKey is FQTDVFLBYCGGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-6-9(4)10-7-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)pent-1-ene?
2-(2-methylpropoxy)pent-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)pent-1-ene is sourced from PubChem (CID 59125329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).