2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene

C16H30O2 — CID 89230320

IUPAC2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene
SMILESC=C(C)COC(C)(C)CCOC(C)(C)CC(=C)C
InChIInChI=1S/C16H30O2/c1-13(2)11-16(7,8)17-10-9-15(5,6)18-12-14(3)4/h1,3,9-12H2,2,4-8H3
InChIKeyCZFOJUBVWUUHEJ-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.51
Rot. Bonds9

About 2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene

2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene (PubChem CID 89230320) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene.

Molecular Properties

Compound Name2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene
PubChem CID89230320
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene
SMILESC=C(C)COC(C)(C)CCOC(C)(C)CC(=C)C
InChIInChI=1S/C16H30O2/c1-13(2)11-16(7,8)17-10-9-15(5,6)18-12-14(3)4/h1,3,9-12H2,2,4-8H3
InChIKeyCZFOJUBVWUUHEJ-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.51
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 2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene?
The IUPAC name of 2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene (CID 89230320) is 2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene.
What is the SMILES notation for 2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene?
The canonical SMILES for 2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene is C=C(C)COC(C)(C)CCOC(C)(C)CC(=C)C.
What is the InChIKey of 2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene?
The InChIKey is CZFOJUBVWUUHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-13(2)11-16(7,8)17-10-9-15(5,6)18-12-14(3)4/h1,3,9-12H2,2,4-8H3.
What are the key properties of 2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene?
2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene has a molecular weight of 254.41 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-[3-methyl-3-(2-methylprop-2-enoxy)butoxy]pent-1-ene is sourced from PubChem (CID 89230320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).