(E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene

C11H22O — CID 171766956

IUPAC(E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene
SMILESCC(C)COC/C=C/C(C)(C)C
InChIInChI=1S/C11H22O/c1-10(2)9-12-8-6-7-11(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+
InChIKeyPQNVNQFNBSHAAT-VOTSOKGWSA-N
MW170.30 g/mol
LogP3.26
Rot. Bonds4

About (E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene

(E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene (PubChem CID 171766956) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene.

Molecular Properties

Compound Name(E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene
PubChem CID171766956
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene
SMILESCC(C)COC/C=C/C(C)(C)C
InChIInChI=1S/C11H22O/c1-10(2)9-12-8-6-7-11(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+
InChIKeyPQNVNQFNBSHAAT-VOTSOKGWSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
CID 153306587
(E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine
CID 137471184
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 89109451
(E)-3-chloro-1-(2-methylpropoxy)but-2-ene
CID 169180662
(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 123712551
(E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene
CID 89254898
4,4-dimethyl-N-propan-2-ylpent-2-en-1-amine
CID 79007017
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
1-bromo-4,4-dimethylpent-2-ene
CID 71373616
methane;(6S)-6-methoxy-2,2,7-trimethyloct-3-ene
CID 159032616
N-(2-methylprop-2-enoyl)-4-(2-methylpropoxy)but-2-enamide
CID 139892331

Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene?
The IUPAC name of (E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene (CID 171766956) is (E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene.
What is the SMILES notation for (E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene?
The canonical SMILES for (E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene is CC(C)COC/C=C/C(C)(C)C.
What is the InChIKey of (E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene?
The InChIKey is PQNVNQFNBSHAAT-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2)9-12-8-6-7-11(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+.
What are the key properties of (E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene?
(E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene has a molecular weight of 170.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene is sourced from PubChem (CID 171766956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).