2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane

C19H38O3 — CID 150210042

IUPAC2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
SMILESCCCCCCCCC(CCOC=C(C)C)C(C)(OC)OC
InChIInChI=1S/C19H38O3/c1-7-8-9-10-11-12-13-18(19(4,20-5)21-6)14-15-22-16-17(2)3/h16,18H,7-15H2,1-6H3
InChIKeyFRHGHMHZFBDHNE-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.69
Rot. Bonds14

About 2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane

2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane (PubChem CID 150210042) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane.

Molecular Properties

Compound Name2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
PubChem CID150210042
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
SMILESCCCCCCCCC(CCOC=C(C)C)C(C)(OC)OC
InChIInChI=1S/C19H38O3/c1-7-8-9-10-11-12-13-18(19(4,20-5)21-6)14-15-22-16-17(2)3/h16,18H,7-15H2,1-6H3
InChIKeyFRHGHMHZFBDHNE-UHFFFAOYSA-N
XLogP5.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
CID 150933337
1-(2-methylprop-1-enoxy)-3-[tri(propan-2-yloxy)methyl]undecane
CID 152505877
5-(1,1-dimethoxyethyl)nonane
CID 139962185
4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane
CID 151238395
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
4-(1,1-dimethoxyethyl)dodecyl prop-2-enoate
CID 150677518
2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol
CID 151926052
N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
CID 150867086
2-(1,1-dimethoxyethyl)decyl prop-2-enoate
CID 150928265
3-[2-(1,1-dimethoxyethyl)decyl]oxetane
CID 152701590
4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane
CID 159305061
2,2-diethoxy-3-(2-methoxyethyl)undecane;prop-1-ene
CID 157221541

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane?
The IUPAC name of 2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane (CID 150210042) is 2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane.
What is the SMILES notation for 2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane?
The canonical SMILES for 2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane is CCCCCCCCC(CCOC=C(C)C)C(C)(OC)OC.
What is the InChIKey of 2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane?
The InChIKey is FRHGHMHZFBDHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-7-8-9-10-11-12-13-18(19(4,20-5)21-6)14-15-22-16-17(2)3/h16,18H,7-15H2,1-6H3.
What are the key properties of 2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane?
2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane has a molecular weight of 314.51 g/mol, XLogP of 5.69, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane is sourced from PubChem (CID 150210042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).