4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane

C20H42O4 — CID 151238395

IUPAC4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane
SMILESCCCCCCCCC(CCCOCCCOC)C(C)(OC)OC
InChIInChI=1S/C20H42O4/c1-6-7-8-9-10-11-14-19(20(2,22-4)23-5)15-12-17-24-18-13-16-21-3/h19H,6-18H2,1-5H3
InChIKeyNPTXTFBXAFSYGS-UHFFFAOYSA-N
MW346.55 g/mol
LogP5.20
Rot. Bonds18

About 4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane

4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane (PubChem CID 151238395) has the molecular formula C20H42O4 and a molecular weight of 346.55 g/mol. Its IUPAC name is 4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane.

Molecular Properties

Compound Name4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane
PubChem CID151238395
Molecular FormulaC20H42O4
Molecular Weight346.55 g/mol
Exact Mass346.31
IUPAC Name4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane
SMILESCCCCCCCCC(CCCOCCCOC)C(C)(OC)OC
InChIInChI=1S/C20H42O4/c1-6-7-8-9-10-11-14-19(20(2,22-4)23-5)15-12-17-24-18-13-16-21-3/h19H,6-18H2,1-5H3
InChIKeyNPTXTFBXAFSYGS-UHFFFAOYSA-N
XLogP5.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.55
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,1-dimethoxyethyl)nonane
CID 139962185
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
4-(1,1-dimethoxyethyl)dodecyl prop-2-enoate
CID 150677518
2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
CID 150210042
10,10-dimethyl-1-[3-(trimethoxymethyl)undecoxy]undecane
CID 151178773
3,3-dibutoxy-4-(3-methoxypropyl)dodecane
CID 158251211
1-butoxy-4-(2-propoxypropan-2-yl)dodecane
CID 151293545
N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
CID 150867086
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol
CID 151926052
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 4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane?
The IUPAC name of 4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane (CID 151238395) is 4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane.
What is the SMILES notation for 4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane?
The canonical SMILES for 4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane is CCCCCCCCC(CCCOCCCOC)C(C)(OC)OC.
What is the InChIKey of 4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane?
The InChIKey is NPTXTFBXAFSYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4/c1-6-7-8-9-10-11-14-19(20(2,22-4)23-5)15-12-17-24-18-13-16-21-3/h19H,6-18H2,1-5H3.
What are the key properties of 4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane?
4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane has a molecular weight of 346.55 g/mol, XLogP of 5.20, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane is sourced from PubChem (CID 151238395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).