4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene

C12H22O — CID 57146634

IUPAC4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene
SMILESCC=CC(C)(C)OC(C)(C)C=CC
InChIInChI=1S/C12H22O/c1-7-9-11(3,4)13-12(5,6)10-8-2/h7-10H,1-6H3
InChIKeyVHMPAZZLLHTTRE-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.71
Rot. Bonds4

About 4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene

4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene (PubChem CID 57146634) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene.

Molecular Properties

Compound Name4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene
PubChem CID57146634
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene
SMILESCC=CC(C)(C)OC(C)(C)C=CC
InChIInChI=1S/C12H22O/c1-7-9-11(3,4)13-12(5,6)10-8-2/h7-10H,1-6H3
InChIKeyVHMPAZZLLHTTRE-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-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
2,2-Dimethyl-2,5-dihydrofuran
CID 12871456
(2R)-2-ethenyl-2,6,6-trimethyl-3H-pyran
CID 163003859
1-Ethoxy-4,4-dimethyl-2-pentene
CID 5358351
2-Pentene, 1-ethoxy-4-methyl-, (Z)-
CID 5365079
3-Methyl-3-[(2-methylbut-3-en-2-yl)oxy]but-1-ene
CID 14533162
(E)-1-[(E)-pent-2-enoxy]pent-2-ene
CID 23302133
5-Acetoxy-5-methyl-hex-3-ene
CID 129813311
2-Ethenyl-2,6,6-trimethyl-3,6-dihydro-2H-pyran
CID 71341137
4-Butoxy-2,4-dimethyl-2-pentene
CID 567127
3,6-Dimethoxy-3,6-dimethyl-1,4-cyclohexadiene
CID 592759
2-Pentene, 4,4'-oxybis-
CID 5365801

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene?
The IUPAC name of 4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene (CID 57146634) is 4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene.
What is the SMILES notation for 4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene?
The canonical SMILES for 4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene is CC=CC(C)(C)OC(C)(C)C=CC.
What is the InChIKey of 4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene?
The InChIKey is VHMPAZZLLHTTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-7-9-11(3,4)13-12(5,6)10-8-2/h7-10H,1-6H3.
What are the key properties of 4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene?
4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene has a molecular weight of 182.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-methylpent-3-en-2-yloxy)pent-2-ene is sourced from PubChem (CID 57146634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).