9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane

C24H48O2 — CID 151381195

IUPAC9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane
SMILESCC=COCCCCCCCCC(CCCCCCCC)C(C)(C)OC
InChIInChI=1S/C24H48O2/c1-6-8-9-10-13-16-19-23(24(3,4)25-5)20-17-14-11-12-15-18-22-26-21-7-2/h7,21,23H,6,8-20,22H2,1-5H3
InChIKeyOSLFYQRUADBWPS-UHFFFAOYSA-N
MW368.65 g/mol
LogP8.06
Rot. Bonds19

About 9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane

9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane (PubChem CID 151381195) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane.

Molecular Properties

Compound Name9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane
PubChem CID151381195
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Name9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane
SMILESCC=COCCCCCCCCC(CCCCCCCC)C(C)(C)OC
InChIInChI=1S/C24H48O2/c1-6-8-9-10-13-16-19-23(24(3,4)25-5)20-17-14-11-12-15-18-22-26-21-7-2/h7,21,23H,6,8-20,22H2,1-5H3
InChIKeyOSLFYQRUADBWPS-UHFFFAOYSA-N
XLogP8.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane?
The IUPAC name of 9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane (CID 151381195) is 9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane.
What is the SMILES notation for 9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane?
The canonical SMILES for 9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane is CC=COCCCCCCCCC(CCCCCCCC)C(C)(C)OC.
What is the InChIKey of 9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane?
The InChIKey is OSLFYQRUADBWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2/c1-6-8-9-10-13-16-19-23(24(3,4)25-5)20-17-14-11-12-15-18-22-26-21-7-2/h7,21,23H,6,8-20,22H2,1-5H3.
What are the key properties of 9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane?
9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane has a molecular weight of 368.65 g/mol, XLogP of 8.06, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxypropan-2-yl)-1-prop-1-enoxyheptadecane is sourced from PubChem (CID 151381195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).