3-(2-methylprop-1-enoxymethyl)heptane

C12H24O — CID 87667908

IUPAC3-(2-methylprop-1-enoxymethyl)heptane
SMILESCCCCC(CC)COC=C(C)C
InChIInChI=1S/C12H24O/c1-5-7-8-12(6-2)10-13-9-11(3)4/h9,12H,5-8,10H2,1-4H3
InChIKeyAQGKMMQOOAKOKL-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.14
Rot. Bonds7

About 3-(2-methylprop-1-enoxymethyl)heptane

3-(2-methylprop-1-enoxymethyl)heptane (PubChem CID 87667908) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-(2-methylprop-1-enoxymethyl)heptane.

Molecular Properties

Compound Name3-(2-methylprop-1-enoxymethyl)heptane
PubChem CID87667908
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-(2-methylprop-1-enoxymethyl)heptane
SMILESCCCCC(CC)COC=C(C)C
InChIInChI=1S/C12H24O/c1-5-7-8-12(6-2)10-13-9-11(3)4/h9,12H,5-8,10H2,1-4H3
InChIKeyAQGKMMQOOAKOKL-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.14
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-(2-methylprop-1-enoxymethyl)heptane?
The IUPAC name of 3-(2-methylprop-1-enoxymethyl)heptane (CID 87667908) is 3-(2-methylprop-1-enoxymethyl)heptane.
What is the SMILES notation for 3-(2-methylprop-1-enoxymethyl)heptane?
The canonical SMILES for 3-(2-methylprop-1-enoxymethyl)heptane is CCCCC(CC)COC=C(C)C.
What is the InChIKey of 3-(2-methylprop-1-enoxymethyl)heptane?
The InChIKey is AQGKMMQOOAKOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-7-8-12(6-2)10-13-9-11(3)4/h9,12H,5-8,10H2,1-4H3.
What are the key properties of 3-(2-methylprop-1-enoxymethyl)heptane?
3-(2-methylprop-1-enoxymethyl)heptane has a molecular weight of 184.32 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-1-enoxymethyl)heptane is sourced from PubChem (CID 87667908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).