2,2,4-trimethyl-4-prop-2-enoxypentane

C11H22O — CID 118027020

IUPAC2,2,4-trimethyl-4-prop-2-enoxypentane
SMILESC=CCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H22O/c1-7-8-12-11(5,6)9-10(2,3)4/h7H,1,8-9H2,2-6H3
InChIKeyKTZMFOXRHYGWTD-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.40
Rot. Bonds4

About 2,2,4-trimethyl-4-prop-2-enoxypentane

2,2,4-trimethyl-4-prop-2-enoxypentane (PubChem CID 118027020) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-prop-2-enoxypentane.

Molecular Properties

Compound Name2,2,4-trimethyl-4-prop-2-enoxypentane
PubChem CID118027020
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,2,4-trimethyl-4-prop-2-enoxypentane
SMILESC=CCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H22O/c1-7-8-12-11(5,6)9-10(2,3)4/h7H,1,8-9H2,2-6H3
InChIKeyKTZMFOXRHYGWTD-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,4-trimethyl-4-prop-2-enoxypentane?
The IUPAC name of 2,2,4-trimethyl-4-prop-2-enoxypentane (CID 118027020) is 2,2,4-trimethyl-4-prop-2-enoxypentane.
What is the SMILES notation for 2,2,4-trimethyl-4-prop-2-enoxypentane?
The canonical SMILES for 2,2,4-trimethyl-4-prop-2-enoxypentane is C=CCOC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4-trimethyl-4-prop-2-enoxypentane?
The InChIKey is KTZMFOXRHYGWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-7-8-12-11(5,6)9-10(2,3)4/h7H,1,8-9H2,2-6H3.
What are the key properties of 2,2,4-trimethyl-4-prop-2-enoxypentane?
2,2,4-trimethyl-4-prop-2-enoxypentane has a molecular weight of 170.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-prop-2-enoxypentane is sourced from PubChem (CID 118027020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).