4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene

C19H38O2 — CID 176894754

IUPAC4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene
SMILESC=CCC(C)(COCC(C)CCC)COCC(C)CCC
InChIInChI=1S/C19H38O2/c1-7-10-17(4)13-20-15-19(6,12-9-3)16-21-14-18(5)11-8-2/h9,17-18H,3,7-8,10-16H2,1-2,4-6H3
InChIKeySSSBQZIXSRSERY-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.47
Rot. Bonds14

About 4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene

4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene (PubChem CID 176894754) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene.

Molecular Properties

Compound Name4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene
PubChem CID176894754
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene
SMILESC=CCC(C)(COCC(C)CCC)COCC(C)CCC
InChIInChI=1S/C19H38O2/c1-7-10-17(4)13-20-15-19(6,12-9-3)16-21-14-18(5)11-8-2/h9,17-18H,3,7-8,10-16H2,1-2,4-6H3
InChIKeySSSBQZIXSRSERY-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene?
The IUPAC name of 4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene (CID 176894754) is 4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene.
What is the SMILES notation for 4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene?
The canonical SMILES for 4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene is C=CCC(C)(COCC(C)CCC)COCC(C)CCC.
What is the InChIKey of 4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene?
The InChIKey is SSSBQZIXSRSERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-7-10-17(4)13-20-15-19(6,12-9-3)16-21-14-18(5)11-8-2/h9,17-18H,3,7-8,10-16H2,1-2,4-6H3.
What are the key properties of 4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene?
4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene has a molecular weight of 298.51 g/mol, XLogP of 5.47, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpentoxy)-4-(2-methylpentoxymethyl)pent-1-ene is sourced from PubChem (CID 176894754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).