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

C11H22O — CID 58200129

IUPAC(Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
SMILESCC(C)(C)C/C=C\OC(C)(C)C
InChIInChI=1S/C11H22O/c1-10(2,3)8-7-9-12-11(4,5)6/h7,9H,8H2,1-6H3/b9-7-
InChIKeyXQBKCKLJFLUOJO-CLFYSBASSA-N
MW170.30 g/mol
LogP3.75
Rot. Bonds2

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

(Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene (PubChem CID 58200129) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene.

Molecular Properties

Compound Name(Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
PubChem CID58200129
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
SMILESCC(C)(C)C/C=C\OC(C)(C)C
InChIInChI=1S/C11H22O/c1-10(2,3)8-7-9-12-11(4,5)6/h7,9H,8H2,1-6H3/b9-7-
InChIKeyXQBKCKLJFLUOJO-CLFYSBASSA-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'}

Analyze (Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene?
The IUPAC name of (Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene (CID 58200129) is (Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene.
What is the SMILES notation for (Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene?
The canonical SMILES for (Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene is CC(C)(C)C/C=C\OC(C)(C)C.
What is the InChIKey of (Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene?
The InChIKey is XQBKCKLJFLUOJO-CLFYSBASSA-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/b9-7-.
What are the key properties of (Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene?
(Z)-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 (Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene is sourced from PubChem (CID 58200129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).