6,10-dihydroxy-2,6,10-trimethylpentadecanoate

C18H35O4- — CID 59229283

IUPAC6,10-dihydroxy-2,6,10-trimethylpentadecanoate
SMILESCCCCCC(C)(O)CCCC(C)(O)CCCC(C)C(=O)[O-]
InChIInChI=1S/C18H36O4/c1-5-6-7-11-17(3,21)13-9-14-18(4,22)12-8-10-15(2)16(19)20/h15,21-22H,5-14H2,1-4H3,(H,19,20)/p-1
InChIKeyTZYDOPDGTJDLQS-UHFFFAOYSA-M
MW315.47 g/mol
LogP2.80
Rot. Bonds13

About 6,10-dihydroxy-2,6,10-trimethylpentadecanoate

6,10-dihydroxy-2,6,10-trimethylpentadecanoate (PubChem CID 59229283) has the molecular formula C18H35O4- and a molecular weight of 315.47 g/mol. Its IUPAC name is 6,10-dihydroxy-2,6,10-trimethylpentadecanoate.

Molecular Properties

Compound Name6,10-dihydroxy-2,6,10-trimethylpentadecanoate
PubChem CID59229283
Molecular FormulaC18H35O4-
Molecular Weight315.47 g/mol
Exact Mass315.25
IUPAC Name6,10-dihydroxy-2,6,10-trimethylpentadecanoate
SMILESCCCCCC(C)(O)CCCC(C)(O)CCCC(C)C(=O)[O-]
InChIInChI=1S/C18H36O4/c1-5-6-7-11-17(3,21)13-9-14-18(4,22)12-8-10-15(2)16(19)20/h15,21-22H,5-14H2,1-4H3,(H,19,20)/p-1
InChIKeyTZYDOPDGTJDLQS-UHFFFAOYSA-M
XLogP2.80
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-2,6,10-trimethylpentadecanoate
CID 59229455
6-hydroxy-2,6-dimethylnonanoate
CID 59271392
6-hydroxy-2,6-dimethyloctanoate
CID 59271296
(2R)-2-methylhexanoate
CID 6999857
magnesium bis(2-methylnonanoate)
CID 175226104
copper bis(2-methylhexanoate)
CID 19768945
(E)-6-hydroxy-2,6,10-trimethyltridec-10-enoate
CID 59229241
13-methylheptacosan-13-ol
CID 87343529
(E)-6,10-dihydroxy-2,6,10-trimethylpentadec-2-enoate
CID 59271430
lithium 2-methylpentanoate
CID 122554466
magnesium bis(2-methylpentanoate)
CID 140813982
1,1'-biphenyl;2-methyloctanoate
CID 22157313

Frequently Asked Questions

What is the IUPAC name of 6,10-dihydroxy-2,6,10-trimethylpentadecanoate?
The IUPAC name of 6,10-dihydroxy-2,6,10-trimethylpentadecanoate (CID 59229283) is 6,10-dihydroxy-2,6,10-trimethylpentadecanoate.
What is the SMILES notation for 6,10-dihydroxy-2,6,10-trimethylpentadecanoate?
The canonical SMILES for 6,10-dihydroxy-2,6,10-trimethylpentadecanoate is CCCCCC(C)(O)CCCC(C)(O)CCCC(C)C(=O)[O-].
What is the InChIKey of 6,10-dihydroxy-2,6,10-trimethylpentadecanoate?
The InChIKey is TZYDOPDGTJDLQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O4/c1-5-6-7-11-17(3,21)13-9-14-18(4,22)12-8-10-15(2)16(19)20/h15,21-22H,5-14H2,1-4H3,(H,19,20)/p-1.
What are the key properties of 6,10-dihydroxy-2,6,10-trimethylpentadecanoate?
6,10-dihydroxy-2,6,10-trimethylpentadecanoate has a molecular weight of 315.47 g/mol, XLogP of 2.80, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dihydroxy-2,6,10-trimethylpentadecanoate is sourced from PubChem (CID 59229283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).