1,1,1-trimethoxy-2,2-dimethyldecane

C15H32O3 — CID 150575533

IUPAC1,1,1-trimethoxy-2,2-dimethyldecane
SMILESCCCCCCCCC(C)(C)C(OC)(OC)OC
InChIInChI=1S/C15H32O3/c1-7-8-9-10-11-12-13-14(2,3)15(16-4,17-5)18-6/h7-13H2,1-6H3
InChIKeyIMSKPPWXLVXKAY-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.36
Rot. Bonds11

About 1,1,1-trimethoxy-2,2-dimethyldecane

1,1,1-trimethoxy-2,2-dimethyldecane (PubChem CID 150575533) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1,1,1-trimethoxy-2,2-dimethyldecane.

Molecular Properties

Compound Name1,1,1-trimethoxy-2,2-dimethyldecane
PubChem CID150575533
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name1,1,1-trimethoxy-2,2-dimethyldecane
SMILESCCCCCCCCC(C)(C)C(OC)(OC)OC
InChIInChI=1S/C15H32O3/c1-7-8-9-10-11-12-13-14(2,3)15(16-4,17-5)18-6/h7-13H2,1-6H3
InChIKeyIMSKPPWXLVXKAY-UHFFFAOYSA-N
XLogP4.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-methyl-5-(trimethoxymethyl)tridecane
CID 150316109
5,5,6,6-tetramethyltridecane
CID 173349107
3-methoxy-3-methyldodecane
CID 150409844
4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane
CID 150655273
11-methoxy-11-nonyltetracosane
CID 159441841
1,1,1-trimethoxytridecane
CID 102481821
2,3,3-trimethylnonan-2-ol
CID 149434403
9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane
CID 151814653
3,3-dimethoxynonane
CID 14785776
3-ethyl-3-methoxydecane
CID 89190150
10-methoxy-10-propylicosane
CID 158279749
N-ethyl-7-methyltetradecan-7-amine
CID 593697

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trimethoxy-2,2-dimethyldecane?
The IUPAC name of 1,1,1-trimethoxy-2,2-dimethyldecane (CID 150575533) is 1,1,1-trimethoxy-2,2-dimethyldecane.
What is the SMILES notation for 1,1,1-trimethoxy-2,2-dimethyldecane?
The canonical SMILES for 1,1,1-trimethoxy-2,2-dimethyldecane is CCCCCCCCC(C)(C)C(OC)(OC)OC.
What is the InChIKey of 1,1,1-trimethoxy-2,2-dimethyldecane?
The InChIKey is IMSKPPWXLVXKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-7-8-9-10-11-12-13-14(2,3)15(16-4,17-5)18-6/h7-13H2,1-6H3.
What are the key properties of 1,1,1-trimethoxy-2,2-dimethyldecane?
1,1,1-trimethoxy-2,2-dimethyldecane has a molecular weight of 260.42 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trimethoxy-2,2-dimethyldecane is sourced from PubChem (CID 150575533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).