3,5,5,8,8,10-hexamethyldodecanedioic acid

C18H34O4 — CID 150969155

IUPAC3,5,5,8,8,10-hexamethyldodecanedioic acid
SMILESCC(CC(=O)O)CC(C)(C)CCC(C)(C)CC(C)CC(=O)O
InChIInChI=1S/C18H34O4/c1-13(9-15(19)20)11-17(3,4)7-8-18(5,6)12-14(2)10-16(21)22/h13-14H,7-12H2,1-6H3,(H,19,20)(H,21,22)
InChIKeyLNSVMMDUHLPWQM-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.82
Rot. Bonds11

About 3,5,5,8,8,10-hexamethyldodecanedioic acid

3,5,5,8,8,10-hexamethyldodecanedioic acid (PubChem CID 150969155) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 3,5,5,8,8,10-hexamethyldodecanedioic acid.

Molecular Properties

Compound Name3,5,5,8,8,10-hexamethyldodecanedioic acid
PubChem CID150969155
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name3,5,5,8,8,10-hexamethyldodecanedioic acid
SMILESCC(CC(=O)O)CC(C)(C)CCC(C)(C)CC(C)CC(=O)O
InChIInChI=1S/C18H34O4/c1-13(9-15(19)20)11-17(3,4)7-8-18(5,6)12-14(2)10-16(21)22/h13-14H,7-12H2,1-6H3,(H,19,20)(H,21,22)
InChIKeyLNSVMMDUHLPWQM-UHFFFAOYSA-N
XLogP4.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,5,8,8,10-hexamethyldodecanedioic acid?
The IUPAC name of 3,5,5,8,8,10-hexamethyldodecanedioic acid (CID 150969155) is 3,5,5,8,8,10-hexamethyldodecanedioic acid.
What is the SMILES notation for 3,5,5,8,8,10-hexamethyldodecanedioic acid?
The canonical SMILES for 3,5,5,8,8,10-hexamethyldodecanedioic acid is CC(CC(=O)O)CC(C)(C)CCC(C)(C)CC(C)CC(=O)O.
What is the InChIKey of 3,5,5,8,8,10-hexamethyldodecanedioic acid?
The InChIKey is LNSVMMDUHLPWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-13(9-15(19)20)11-17(3,4)7-8-18(5,6)12-14(2)10-16(21)22/h13-14H,7-12H2,1-6H3,(H,19,20)(H,21,22).
What are the key properties of 3,5,5,8,8,10-hexamethyldodecanedioic acid?
3,5,5,8,8,10-hexamethyldodecanedioic acid has a molecular weight of 314.47 g/mol, XLogP of 4.82, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,8,8,10-hexamethyldodecanedioic acid is sourced from PubChem (CID 150969155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).