1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane

C33H70O7 — CID 159659931

IUPAC1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
SMILESCCCCCCCCC(CCC)C(OCC)(OCC)OCC.CCCCCCCCC(OC)C(OC)(OC)OC
InChIInChI=1S/C19H40O3.C14H30O4/c1-6-11-12-13-14-15-17-18(16-7-2)19(20-8-3,21-9-4)22-10-5;1-6-7-8-9-10-11-12-13(15-2)14(16-3,17-4)18-5/h18H,6-17H2,1-5H3;13H,6-12H2,1-5H3
InChIKeyMSRAOAQWXVBSOU-UHFFFAOYSA-N
MW578.92 g/mol
LogP9.26
Rot. Bonds28

About 1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane

1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane (PubChem CID 159659931) has the molecular formula C33H70O7 and a molecular weight of 578.92 g/mol. Its IUPAC name is 1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane.

Molecular Properties

Compound Name1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
PubChem CID159659931
Molecular FormulaC33H70O7
Molecular Weight578.92 g/mol
Exact Mass578.51
IUPAC Name1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
SMILESCCCCCCCCC(CCC)C(OCC)(OCC)OCC.CCCCCCCCC(OC)C(OC)(OC)OC
InChIInChI=1S/C19H40O3.C14H30O4/c1-6-11-12-13-14-15-17-18(16-7-2)19(20-8-3,21-9-4)22-10-5;1-6-7-8-9-10-11-12-13(15-2)14(16-3,17-4)18-5/h18H,6-17H2,1-5H3;13H,6-12H2,1-5H3
InChIKeyMSRAOAQWXVBSOU-UHFFFAOYSA-N
XLogP9.26
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.92
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
isocyanic acid;4-(triethoxymethyl)dodecane
CID 172765955
5-(butoxy-ethoxy-methoxymethyl)tridecane
CID 150034596
6-(trimethoxymethyl)tridecane
CID 151806345
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane
CID 159305061
7-(triethoxymethyl)pentadecan-1-amine
CID 150888831
1,1-difluoro-4-(triethoxymethyl)dodecane
CID 150523131
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
1-propoxy-4-(triethoxymethyl)dodecane
CID 151853083
1-ethylperoxy-4-(triethoxymethyl)dodecane
CID 151956548
11-(triethoxymethyl)nonadec-1-ene
CID 150184812

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane?
The IUPAC name of 1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane (CID 159659931) is 1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane.
What is the SMILES notation for 1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane?
The canonical SMILES for 1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane is CCCCCCCCC(CCC)C(OCC)(OCC)OCC.CCCCCCCCC(OC)C(OC)(OC)OC.
What is the InChIKey of 1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane?
The InChIKey is MSRAOAQWXVBSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3.C14H30O4/c1-6-11-12-13-14-15-17-18(16-7-2)19(20-8-3,21-9-4)22-10-5;1-6-7-8-9-10-11-12-13(15-2)14(16-3,17-4)18-5/h18H,6-17H2,1-5H3;13H,6-12H2,1-5H3.
What are the key properties of 1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane?
1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane has a molecular weight of 578.92 g/mol, XLogP of 9.26, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane is sourced from PubChem (CID 159659931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).