3-(2-methylprop-2-enoxy)but-1-ene

C8H14O — CID 12749706

IUPAC3-(2-methylprop-2-enoxy)but-1-ene
SMILESC=CC(C)OCC(=C)C
InChIInChI=1S/C8H14O/c1-5-8(4)9-6-7(2)3/h5,8H,1-2,6H2,3-4H3
InChIKeyONMKFGKNRMQALB-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.15
Rot. Bonds4

About 3-(2-methylprop-2-enoxy)but-1-ene

3-(2-methylprop-2-enoxy)but-1-ene (PubChem CID 12749706) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)but-1-ene.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)but-1-ene
PubChem CID12749706
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-(2-methylprop-2-enoxy)but-1-ene
SMILESC=CC(C)OCC(=C)C
InChIInChI=1S/C8H14O/c1-5-8(4)9-6-7(2)3/h5,8H,1-2,6H2,3-4H3
InChIKeyONMKFGKNRMQALB-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-methylprop-2-enoxy)but-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-3-((3-methyl-2-butenyl)oxy)but-1-ene
CID 118687
1-Butene, 3-butoxy-
CID 543705
3-Ethoxybut-1-ene
CID 545782
3-Methoxy-1-butene
CID 551191
1-Butene, 3-butoxy-2-methyl-
CID 551198
3-But-3-en-2-yloxybut-1-ene
CID 14533157
1,4-Pentadiene, 2,4-dimethyl-3-(2-propenyloxy)-
CID 11159420
3-Prop-2-enoxyhexa-1,5-diene
CID 13693109
2,4-Dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene
CID 20816773
1-Ethyl-2-propenyl ether
CID 21584883
1,2-Dimethyl-2-propenyl ether
CID 22561178
3-Ethoxypent-4-ene
CID 57199947

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)but-1-ene?
The IUPAC name of 3-(2-methylprop-2-enoxy)but-1-ene (CID 12749706) is 3-(2-methylprop-2-enoxy)but-1-ene.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)but-1-ene?
The canonical SMILES for 3-(2-methylprop-2-enoxy)but-1-ene is C=CC(C)OCC(=C)C.
What is the InChIKey of 3-(2-methylprop-2-enoxy)but-1-ene?
The InChIKey is ONMKFGKNRMQALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-8(4)9-6-7(2)3/h5,8H,1-2,6H2,3-4H3.
What are the key properties of 3-(2-methylprop-2-enoxy)but-1-ene?
3-(2-methylprop-2-enoxy)but-1-ene has a molecular weight of 126.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)but-1-ene is sourced from PubChem (CID 12749706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).