(3R)-2-methyltricosa-4,6,8-triyn-3-ol

C24H38O — CID 53475583

IUPAC(3R)-2-methyltricosa-4,6,8-triyn-3-ol
SMILESCCCCCCCCCCCCCCC#CC#CC#C[C@H](O)C(C)C
InChIInChI=1S/C24H38O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)23(2)3/h23-25H,4-16H2,1-3H3/t24-/m0/s1
InChIKeyNNIODLFTRULDPU-DEOSSOPVSA-N
MW342.57 g/mol
LogP6.10
Rot. Bonds13

About (3R)-2-methyltricosa-4,6,8-triyn-3-ol

(3R)-2-methyltricosa-4,6,8-triyn-3-ol (PubChem CID 53475583) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is (3R)-2-methyltricosa-4,6,8-triyn-3-ol.

Molecular Properties

Compound Name(3R)-2-methyltricosa-4,6,8-triyn-3-ol
PubChem CID53475583
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name(3R)-2-methyltricosa-4,6,8-triyn-3-ol
SMILESCCCCCCCCCCCCCCC#CC#CC#C[C@H](O)C(C)C
InChIInChI=1S/C24H38O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)23(2)3/h23-25H,4-16H2,1-3H3/t24-/m0/s1
InChIKeyNNIODLFTRULDPU-DEOSSOPVSA-N
XLogP6.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2-methylundeca-4,6-diyn-3-ol
CID 53475577
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
2-methylundeca-3,5-diyne
CID 90780674
nonadeca-1,4,6-triyn-3-ol
CID 138979996
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
heptadeca-4,6-diyne-1,8-diol
CID 175955056
henicosa-2,4,6,8,10,12,14-heptayne
CID 176741061
dodeca-2,4-diyn-1-ol
CID 11816199
2-methyldeca-3,5-diyne
CID 10510996
(14R)-14-hydroxyoctadeca-10,12-diynoic acid
CID 2337328
2,2-dimethylheptadec-4-yn-3-ol
CID 177304706

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyltricosa-4,6,8-triyn-3-ol?
The IUPAC name of (3R)-2-methyltricosa-4,6,8-triyn-3-ol (CID 53475583) is (3R)-2-methyltricosa-4,6,8-triyn-3-ol.
What is the SMILES notation for (3R)-2-methyltricosa-4,6,8-triyn-3-ol?
The canonical SMILES for (3R)-2-methyltricosa-4,6,8-triyn-3-ol is CCCCCCCCCCCCCCC#CC#CC#C[C@H](O)C(C)C.
What is the InChIKey of (3R)-2-methyltricosa-4,6,8-triyn-3-ol?
The InChIKey is NNIODLFTRULDPU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H38O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)23(2)3/h23-25H,4-16H2,1-3H3/t24-/m0/s1.
What are the key properties of (3R)-2-methyltricosa-4,6,8-triyn-3-ol?
(3R)-2-methyltricosa-4,6,8-triyn-3-ol has a molecular weight of 342.57 g/mol, XLogP of 6.10, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyltricosa-4,6,8-triyn-3-ol is sourced from PubChem (CID 53475583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).