4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene

C11H22O — CID 76700833

IUPAC4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
SMILESCC(C)(C)CC=COC(C)(C)C
InChIInChI=1S/C11H22O/c1-10(2,3)8-7-9-12-11(4,5)6/h7,9H,8H2,1-6H3
InChIKeyXQBKCKLJFLUOJO-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.75
Rot. Bonds2

About 4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene

4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene (PubChem CID 76700833) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
PubChem CID76700833
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
SMILESCC(C)(C)CC=COC(C)(C)C
InChIInChI=1S/C11H22O/c1-10(2,3)8-7-9-12-11(4,5)6/h7,9H,8H2,1-6H3
InChIKeyXQBKCKLJFLUOJO-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 102396972
(4Z,7Z)-2,2,10,10-tetramethylundeca-4,7-diene
CID 176844045
(E)-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 122630459
(E)-1-chloro-4,4-dimethylpent-1-ene
CID 147984913
1-fluoro-4,4-dimethylpent-1-ene
CID 123199486
[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene
CID 134879348
CID 173486869
CID 173486869
1-tert-butylsulfanyl-4,4-dimethylpent-1-ene
CID 161059652
(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
CID 158835556
2-methoxyprop-1-ene;2-methyl-2-prop-1-enoxypropane
CID 155414756
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene?
The IUPAC name of 4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene (CID 76700833) is 4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene.
What is the SMILES notation for 4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene?
The canonical SMILES for 4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene is CC(C)(C)CC=COC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene?
The InChIKey is XQBKCKLJFLUOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2,3)8-7-9-12-11(4,5)6/h7,9H,8H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene?
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene is sourced from PubChem (CID 76700833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).