11-methyltricosane-11,13-diol

C24H50O2 — CID 90926052

IUPAC11-methyltricosane-11,13-diol
SMILESCCCCCCCCCCC(O)CC(C)(O)CCCCCCCCCC
InChIInChI=1S/C24H50O2/c1-4-6-8-10-12-14-16-18-20-23(25)22-24(3,26)21-19-17-15-13-11-9-7-5-2/h23,25-26H,4-22H2,1-3H3
InChIKeyMERJJEOGSANXTN-UHFFFAOYSA-N
MW370.66 g/mol
LogP7.55
Rot. Bonds20

About 11-methyltricosane-11,13-diol

11-methyltricosane-11,13-diol (PubChem CID 90926052) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 11-methyltricosane-11,13-diol.

Molecular Properties

Compound Name11-methyltricosane-11,13-diol
PubChem CID90926052
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name11-methyltricosane-11,13-diol
SMILESCCCCCCCCCCC(O)CC(C)(O)CCCCCCCCCC
InChIInChI=1S/C24H50O2/c1-4-6-8-10-12-14-16-18-20-23(25)22-24(3,26)21-19-17-15-13-11-9-7-5-2/h23,25-26H,4-22H2,1-3H3
InChIKeyMERJJEOGSANXTN-UHFFFAOYSA-N
XLogP7.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 57.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyl-1,7-octanediol
CID 249494
2-Octyldodecanol
CID 21414
2-Hexyl-1-decanol
CID 95337
Dihydrophytol
CID 102459
7-Ethyl-2-methyl-4-undecanol
CID 97948
3,7-Dimethyl-7-methoxyoctan-2-ol
CID 162053
Phytantriol
CID 3018525
3,9-Diethyl-6-tridecanol
CID 225882
2-Hexyldodecanol
CID 86112
Decyltetradecanol
CID 93875
Octyldecanol
CID 3084890
3-Methylcyclopentadecan-1-ol
CID 3017316

Frequently Asked Questions

What is the IUPAC name of 11-methyltricosane-11,13-diol?
The IUPAC name of 11-methyltricosane-11,13-diol (CID 90926052) is 11-methyltricosane-11,13-diol.
What is the SMILES notation for 11-methyltricosane-11,13-diol?
The canonical SMILES for 11-methyltricosane-11,13-diol is CCCCCCCCCCC(O)CC(C)(O)CCCCCCCCCC.
What is the InChIKey of 11-methyltricosane-11,13-diol?
The InChIKey is MERJJEOGSANXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-4-6-8-10-12-14-16-18-20-23(25)22-24(3,26)21-19-17-15-13-11-9-7-5-2/h23,25-26H,4-22H2,1-3H3.
What are the key properties of 11-methyltricosane-11,13-diol?
11-methyltricosane-11,13-diol has a molecular weight of 370.66 g/mol, XLogP of 7.55, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyltricosane-11,13-diol is sourced from PubChem (CID 90926052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).