3,6,7,10-tetramethyldodecanoic acid

C16H32O2 — CID 142282769

IUPAC3,6,7,10-tetramethyldodecanoic acid
SMILESCCC(C)CCC(C)C(C)CCC(C)CC(=O)O
InChIInChI=1S/C16H32O2/c1-6-12(2)7-9-14(4)15(5)10-8-13(3)11-16(17)18/h12-15H,6-11H2,1-5H3,(H,17,18)
InChIKeyHRZBLELMMHBIHH-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.98
Rot. Bonds10

About 3,6,7,10-tetramethyldodecanoic acid

3,6,7,10-tetramethyldodecanoic acid (PubChem CID 142282769) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 3,6,7,10-tetramethyldodecanoic acid.

Molecular Properties

Compound Name3,6,7,10-tetramethyldodecanoic acid
PubChem CID142282769
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name3,6,7,10-tetramethyldodecanoic acid
SMILESCCC(C)CCC(C)C(C)CCC(C)CC(=O)O
InChIInChI=1S/C16H32O2/c1-6-12(2)7-9-14(4)15(5)10-8-13(3)11-16(17)18/h12-15H,6-11H2,1-5H3,(H,17,18)
InChIKeyHRZBLELMMHBIHH-UHFFFAOYSA-N
XLogP4.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3,6,7,10-tetramethyldodecane
CID 143901344
4,7-dimethylnonan-2-one
CID 87291820
3-methyloctanoic acid
CID 5312327
5-hydroxy-3-methylheptanoic acid
CID 143025483
(3R,5R,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427142
(3R,5S,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427143
3-methylhexanedioic acid;dihydrobromide
CID 172737269
3-methylnonadecanoic acid
CID 13392624
(3S)-3-methylhexadecanoic acid
CID 54227409
3,6-dimethylhept-6-enoic acid
CID 114477602
strontium;hydride;3-methylpentanedioic acid
CID 173490798
(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123

Frequently Asked Questions

What is the IUPAC name of 3,6,7,10-tetramethyldodecanoic acid?
The IUPAC name of 3,6,7,10-tetramethyldodecanoic acid (CID 142282769) is 3,6,7,10-tetramethyldodecanoic acid.
What is the SMILES notation for 3,6,7,10-tetramethyldodecanoic acid?
The canonical SMILES for 3,6,7,10-tetramethyldodecanoic acid is CCC(C)CCC(C)C(C)CCC(C)CC(=O)O.
What is the InChIKey of 3,6,7,10-tetramethyldodecanoic acid?
The InChIKey is HRZBLELMMHBIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-6-12(2)7-9-14(4)15(5)10-8-13(3)11-16(17)18/h12-15H,6-11H2,1-5H3,(H,17,18).
What are the key properties of 3,6,7,10-tetramethyldodecanoic acid?
3,6,7,10-tetramethyldodecanoic acid has a molecular weight of 256.43 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,10-tetramethyldodecanoic acid is sourced from PubChem (CID 142282769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).