4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane

C19H38O2 — CID 150793364

IUPAC4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane
SMILESCC=COCCCC(CCCCCCCC)C(C)(C)OC
InChIInChI=1S/C19H38O2/c1-6-8-9-10-11-12-14-18(19(3,4)20-5)15-13-17-21-16-7-2/h7,16,18H,6,8-15,17H2,1-5H3
InChIKeyKEHYKNYDUMARKX-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.11
Rot. Bonds14

About 4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane

4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane (PubChem CID 150793364) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane
PubChem CID150793364
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane
SMILESCC=COCCCC(CCCCCCCC)C(C)(C)OC
InChIInChI=1S/C19H38O2/c1-6-8-9-10-11-12-14-18(19(3,4)20-5)15-13-17-21-16-7-2/h7,16,18H,6,8-15,17H2,1-5H3
InChIKeyKEHYKNYDUMARKX-UHFFFAOYSA-N
XLogP6.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.11
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 4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane?
The IUPAC name of 4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane (CID 150793364) is 4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane?
The canonical SMILES for 4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane is CC=COCCCC(CCCCCCCC)C(C)(C)OC.
What is the InChIKey of 4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane?
The InChIKey is KEHYKNYDUMARKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-6-8-9-10-11-12-14-18(19(3,4)20-5)15-13-17-21-16-7-2/h7,16,18H,6,8-15,17H2,1-5H3.
What are the key properties of 4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane?
4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane has a molecular weight of 298.51 g/mol, XLogP of 6.11, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)-1-prop-1-enoxydodecane is sourced from PubChem (CID 150793364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).