(3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid

C20H40O2 — CID 10380830

IUPAC(3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)O
InChIInChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19-/m1/s1
InChIKeyRLCKHJSFHOZMDR-GUDVDZBRSA-N
MW312.54 g/mol
LogP6.54
Rot. Bonds14

About (3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid

(3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid (PubChem CID 10380830) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is (3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid.

Molecular Properties

Compound Name(3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid
PubChem CID10380830
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name(3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)O
InChIInChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19-/m1/s1
InChIKeyRLCKHJSFHOZMDR-GUDVDZBRSA-N
XLogP6.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid?
The IUPAC name of (3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid (CID 10380830) is (3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid.
What is the SMILES notation for (3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid?
The canonical SMILES for (3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid is CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)O.
What is the InChIKey of (3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid?
The InChIKey is RLCKHJSFHOZMDR-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19-/m1/s1.
What are the key properties of (3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid?
(3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid has a molecular weight of 312.54 g/mol, XLogP of 6.54, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid is sourced from PubChem (CID 10380830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).