2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane

C19H38O2 — CID 150933337

IUPAC2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
SMILESCCCCCCCCC(CCOC=C(C)C)C(C)(C)OC
InChIInChI=1S/C19H38O2/c1-7-8-9-10-11-12-13-18(19(4,5)20-6)14-15-21-16-17(2)3/h16,18H,7-15H2,1-6H3
InChIKeyLGMJFHBYKGZSKB-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.11
Rot. Bonds13

About 2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane

2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane (PubChem CID 150933337) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane.

Molecular Properties

Compound Name2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
PubChem CID150933337
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
SMILESCCCCCCCCC(CCOC=C(C)C)C(C)(C)OC
InChIInChI=1S/C19H38O2/c1-7-8-9-10-11-12-13-18(19(4,5)20-6)14-15-21-16-17(2)3/h16,18H,7-15H2,1-6H3
InChIKeyLGMJFHBYKGZSKB-UHFFFAOYSA-N
XLogP6.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
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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Related Compounds

2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
CID 150210042
1-(2-methylprop-1-enoxy)-3-[tri(propan-2-yloxy)methyl]undecane
CID 152505877
2-(2-methoxypropan-2-yl)decan-1-amine
CID 150082412
2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate
CID 150627541
2-methoxy-2,3-dimethylundecane
CID 150941081
(2-methyl-3-octylundecan-2-yl)oxyalumane
CID 173044402
6-(trimethoxymethyl)tridecane
CID 151806345
1,3-difluoro-5-[4-(2-methoxypropan-2-yl)dodecyl]benzene
CID 152738135
1,2,3-trifluoro-5-[3-(2-methoxypropan-2-yl)undecyl]benzene
CID 151889153
1,2,3,4,5-pentafluoro-6-[2-(2-methoxypropan-2-yl)decoxy]benzene
CID 150070141
3-(trimethoxymethyl)undecane
CID 150552650
4-tert-butyldecane-1-thiol
CID 88900785

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane?
The IUPAC name of 2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane (CID 150933337) is 2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane.
What is the SMILES notation for 2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane?
The canonical SMILES for 2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane is CCCCCCCCC(CCOC=C(C)C)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane?
The InChIKey is LGMJFHBYKGZSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-7-8-9-10-11-12-13-18(19(4,5)20-6)14-15-21-16-17(2)3/h16,18H,7-15H2,1-6H3.
What are the key properties of 2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane?
2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane has a molecular weight of 298.51 g/mol, XLogP of 6.11, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane is sourced from PubChem (CID 150933337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).