4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane

C18H38O2 — CID 150600164

IUPAC4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane
SMILESCCCCCCCCC(C(C)(C)CC)C(C)(OC)OC
InChIInChI=1S/C18H38O2/c1-8-10-11-12-13-14-15-16(17(3,4)9-2)18(5,19-6)20-7/h16H,8-15H2,1-7H3
InChIKeyIRRXXRGOLVWCEH-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.80
Rot. Bonds12

About 4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane

4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane (PubChem CID 150600164) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane.

Molecular Properties

Compound Name4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane
PubChem CID150600164
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane
SMILESCCCCCCCCC(C(C)(C)CC)C(C)(OC)OC
InChIInChI=1S/C18H38O2/c1-8-10-11-12-13-14-15-16(17(3,4)9-2)18(5,19-6)20-7/h16H,8-15H2,1-7H3
InChIKeyIRRXXRGOLVWCEH-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

10,10-dimethoxy-9-methyloctacosane
CID 151883229
5,5-dimethoxy-6-methyltetradecane
CID 150194841
7,7-dimethoxy-8-methylhexadecane
CID 150332936
10,10-dimethoxy-9-methylhenicosane
CID 150642222
4-tert-butyl-3,3-dimethoxy-2,2-dimethyldodecane
CID 152688982
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
4,4-dimethoxy-5-methyltridecanenitrile
CID 151093071
5-(1,1-dimethoxyethyl)nonane
CID 139962185
3,3,4,5-tetramethyldodecane
CID 175562493
2-methoxy-2,3-dimethylundecane
CID 150941081
3-methoxy-3-methyltetradecan-4-amine
CID 116757437
4,4-dimethoxy-5-propyltridecane
CID 151317508

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane?
The IUPAC name of 4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane (CID 150600164) is 4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane.
What is the SMILES notation for 4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane?
The canonical SMILES for 4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane is CCCCCCCCC(C(C)(C)CC)C(C)(OC)OC.
What is the InChIKey of 4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane?
The InChIKey is IRRXXRGOLVWCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-8-10-11-12-13-14-15-16(17(3,4)9-2)18(5,19-6)20-7/h16H,8-15H2,1-7H3.
What are the key properties of 4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane?
4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane has a molecular weight of 286.50 g/mol, XLogP of 5.80, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane is sourced from PubChem (CID 150600164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).