3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene

C11H22O — CID 18717512

IUPAC3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene
SMILESC=C(OCC(C)C)C(C)(C)CC
InChIInChI=1S/C11H22O/c1-7-11(5,6)10(4)12-8-9(2)3/h9H,4,7-8H2,1-3,5-6H3
InChIKeyZYMJPRMAPINQPQ-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.61
Rot. Bonds5

About 3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene

3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene (PubChem CID 18717512) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene
PubChem CID18717512
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene
SMILESC=C(OCC(C)C)C(C)(C)CC
InChIInChI=1S/C11H22O/c1-7-11(5,6)10(4)12-8-9(2)3/h9H,4,7-8H2,1-3,5-6H3
InChIKeyZYMJPRMAPINQPQ-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene?
The IUPAC name of 3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene (CID 18717512) is 3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene.
What is the SMILES notation for 3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene?
The canonical SMILES for 3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene is C=C(OCC(C)C)C(C)(C)CC.
What is the InChIKey of 3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene?
The InChIKey is ZYMJPRMAPINQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-7-11(5,6)10(4)12-8-9(2)3/h9H,4,7-8H2,1-3,5-6H3.
What are the key properties of 3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene?
3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-methylpropoxy)pent-1-ene is sourced from PubChem (CID 18717512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).