1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane

C15H32O4 — CID 141041789

IUPAC1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane
SMILESCCCC(C)C(C)(C)C(C)(OC)C(OC)(OC)OC
InChIInChI=1S/C15H32O4/c1-10-11-12(2)13(3,4)14(5,16-6)15(17-7,18-8)19-9/h12H,10-11H2,1-9H3
InChIKeyKIHWDDBAWFJUAA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.45
Rot. Bonds9

About 1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane

1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane (PubChem CID 141041789) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane.

Molecular Properties

Compound Name1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane
PubChem CID141041789
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane
SMILESCCCC(C)C(C)(C)C(C)(OC)C(OC)(OC)OC
InChIInChI=1S/C15H32O4/c1-10-11-12(2)13(3,4)14(5,16-6)15(17-7,18-8)19-9/h12H,10-11H2,1-9H3
InChIKeyKIHWDDBAWFJUAA-UHFFFAOYSA-N
XLogP3.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-2,3-dimethylundecane
CID 150941081
bis(2,3-dimethylhexan-2-yl) hydrogen phosphate
CID 175385413
2-fluoro-2,3-dimethylhexan-1-amine
CID 107889779
2,3-dimethylhexan-2-ylphosphane;hydrobromide
CID 173157513
(2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol
CID 10856286
3,4-dimethylheptane-2,2,3-trithiol
CID 166664706
N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine
CID 107893649
(E)-5-methoxy-5,6-dimethylnon-3-en-2-one
CID 87291382
2,3-dimethyl-2-phosphorosooxyhexane
CID 146190332
4-(chloromethyl)-2-methoxy-2-methylheptane
CID 165445702
trichloro(2,3-dimethylhexan-2-yl)silane
CID 170850505
2-chloro-2,3-dimethylhexane;cyclohexane
CID 175373008

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane?
The IUPAC name of 1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane (CID 141041789) is 1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane.
What is the SMILES notation for 1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane?
The canonical SMILES for 1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane is CCCC(C)C(C)(C)C(C)(OC)C(OC)(OC)OC.
What is the InChIKey of 1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane?
The InChIKey is KIHWDDBAWFJUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4/c1-10-11-12(2)13(3,4)14(5,16-6)15(17-7,18-8)19-9/h12H,10-11H2,1-9H3.
What are the key properties of 1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane?
1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane has a molecular weight of 276.42 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane is sourced from PubChem (CID 141041789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).