3-(prop-1-enoxymethyl)octane

C12H24O — CID 175183005

IUPAC3-(prop-1-enoxymethyl)octane
SMILESCC=COCC(CC)CCCCC
InChIInChI=1S/C12H24O/c1-4-7-8-9-12(6-3)11-13-10-5-2/h5,10,12H,4,6-9,11H2,1-3H3
InChIKeyBAJQRPRFXNBXSX-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.14
Rot. Bonds8

About 3-(prop-1-enoxymethyl)octane

3-(prop-1-enoxymethyl)octane (PubChem CID 175183005) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-(prop-1-enoxymethyl)octane.

Molecular Properties

Compound Name3-(prop-1-enoxymethyl)octane
PubChem CID175183005
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-(prop-1-enoxymethyl)octane
SMILESCC=COCC(CC)CCCCC
InChIInChI=1S/C12H24O/c1-4-7-8-9-12(6-3)11-13-10-5-2/h5,10,12H,4,6-9,11H2,1-3H3
InChIKeyBAJQRPRFXNBXSX-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-1-enoxymethyl)octane?
The IUPAC name of 3-(prop-1-enoxymethyl)octane (CID 175183005) is 3-(prop-1-enoxymethyl)octane.
What is the SMILES notation for 3-(prop-1-enoxymethyl)octane?
The canonical SMILES for 3-(prop-1-enoxymethyl)octane is CC=COCC(CC)CCCCC.
What is the InChIKey of 3-(prop-1-enoxymethyl)octane?
The InChIKey is BAJQRPRFXNBXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-7-8-9-12(6-3)11-13-10-5-2/h5,10,12H,4,6-9,11H2,1-3H3.
What are the key properties of 3-(prop-1-enoxymethyl)octane?
3-(prop-1-enoxymethyl)octane has a molecular weight of 184.32 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-1-enoxymethyl)octane is sourced from PubChem (CID 175183005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).