1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane

C20H40O2 — CID 151996003

IUPAC1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane
SMILESCC=CC(CCCCCCC)C(CCCOC)C(C)(C)OC
InChIInChI=1S/C20H40O2/c1-7-9-10-11-12-15-18(14-8-2)19(16-13-17-21-5)20(3,4)22-6/h8,14,18-19H,7,9-13,15-17H2,1-6H3
InChIKeyUFRJNLVMPQTDMZ-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.01
Rot. Bonds14

About 1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane

1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane (PubChem CID 151996003) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane.

Molecular Properties

Compound Name1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane
PubChem CID151996003
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane
SMILESCC=CC(CCCCCCC)C(CCCOC)C(C)(C)OC
InChIInChI=1S/C20H40O2/c1-7-9-10-11-12-15-18(14-8-2)19(16-13-17-21-5)20(3,4)22-6/h8,14,18-19H,7,9-13,15-17H2,1-6H3
InChIKeyUFRJNLVMPQTDMZ-UHFFFAOYSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 5472850
(6E,16Z)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,16-diene
CID 445467
(E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-4-ene
CID 73437573
(6E,12E,16E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,12,16-triene
CID 73437596
(4E,24E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,24-diene
CID 73437600
(E,6S,10R,15R,19R,23R)-27-methoxy-2,6,10,15,19,23,27-heptamethyloctacos-8-ene
CID 163201250
(6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene
CID 163201263
2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane
CID 58891783
(Z)-6-(6-hydroxyhexyl)-5-methyltetracos-15-ene-1,5,24-triol
CID 87746966
5-Ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol
CID 90981901
19-Ethoxy-19-methylhexacosa-6,9-diene
CID 91048578
3,4-Dihexyl-5-(10-methoxydec-1-enyl)-6-(8-methoxyoctyl)cyclohexene
CID 91170884

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane?
The IUPAC name of 1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane (CID 151996003) is 1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane.
What is the SMILES notation for 1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane?
The canonical SMILES for 1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane is CC=CC(CCCCCCC)C(CCCOC)C(C)(C)OC.
What is the InChIKey of 1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane?
The InChIKey is UFRJNLVMPQTDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-7-9-10-11-12-15-18(14-8-2)19(16-13-17-21-5)20(3,4)22-6/h8,14,18-19H,7,9-13,15-17H2,1-6H3.
What are the key properties of 1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane?
1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane has a molecular weight of 312.54 g/mol, XLogP of 6.01, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane is sourced from PubChem (CID 151996003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).