2-methyl-1-[(E)-prop-1-enoxy]propane

C7H14O — CID 5462823

IUPAC2-methyl-1-[(E)-prop-1-enoxy]propane
SMILESC/C=C/OCC(C)C
InChIInChI=1S/C7H14O/c1-4-5-8-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+
InChIKeyJCCRGQZQICHINY-SNAWJCMRSA-N
MW114.19 g/mol
LogP2.19
Rot. Bonds3

About 2-methyl-1-[(E)-prop-1-enoxy]propane

2-methyl-1-[(E)-prop-1-enoxy]propane (PubChem CID 5462823) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-methyl-1-[(E)-prop-1-enoxy]propane.

Molecular Properties

Compound Name2-methyl-1-[(E)-prop-1-enoxy]propane
PubChem CID5462823
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-methyl-1-[(E)-prop-1-enoxy]propane
SMILESC/C=C/OCC(C)C
InChIInChI=1S/C7H14O/c1-4-5-8-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+
InChIKeyJCCRGQZQICHINY-SNAWJCMRSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.19
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

2,3-Dihydro-3-methylfuran
CID 102677
Ethyl 1-propenyl ether
CID 13570
1-Propene, 1-methoxy-
CID 111290
1-Methoxy-1,3-butadiene
CID 5462719
Ethyl propenyl ether
CID 5365091
1-Methoxy-1-propene
CID 637914
Propenyl ether
CID 5362775
1-Propene, 1-methoxy-, (1Z)-
CID 643770
Propenyl ethyl ether
CID 5354319
cis-1-Butenyl ethyl ether
CID 5364930
cis-1-Propenyl isopropyl ether
CID 5365243
(E)-1-Methoxy-1-butene
CID 5366228

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-prop-1-enoxy]propane?
The IUPAC name of 2-methyl-1-[(E)-prop-1-enoxy]propane (CID 5462823) is 2-methyl-1-[(E)-prop-1-enoxy]propane.
What is the SMILES notation for 2-methyl-1-[(E)-prop-1-enoxy]propane?
The canonical SMILES for 2-methyl-1-[(E)-prop-1-enoxy]propane is C/C=C/OCC(C)C.
What is the InChIKey of 2-methyl-1-[(E)-prop-1-enoxy]propane?
The InChIKey is JCCRGQZQICHINY-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14O/c1-4-5-8-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+.
What are the key properties of 2-methyl-1-[(E)-prop-1-enoxy]propane?
2-methyl-1-[(E)-prop-1-enoxy]propane has a molecular weight of 114.19 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-prop-1-enoxy]propane is sourced from PubChem (CID 5462823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).