4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene

C12H22O — CID 57217751

IUPAC4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene
SMILESC=CCC(C)COCC(C)CC=C
InChIInChI=1S/C12H22O/c1-5-7-11(3)9-13-10-12(4)8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyLBJXAOPRGQDEJA-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.43
Rot. Bonds8

About 4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene

4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene (PubChem CID 57217751) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene.

Molecular Properties

Compound Name4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene
PubChem CID57217751
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene
SMILESC=CCC(C)COCC(C)CC=C
InChIInChI=1S/C12H22O/c1-5-7-11(3)9-13-10-12(4)8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyLBJXAOPRGQDEJA-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene?
The IUPAC name of 4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene (CID 57217751) is 4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene.
What is the SMILES notation for 4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene?
The canonical SMILES for 4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene is C=CCC(C)COCC(C)CC=C.
What is the InChIKey of 4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene?
The InChIKey is LBJXAOPRGQDEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-7-11(3)9-13-10-12(4)8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of 4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene?
4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene has a molecular weight of 182.31 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpent-4-enoxy)pent-1-ene is sourced from PubChem (CID 57217751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).