methane;2-methylnonadecan-3-ol;propan-2-ol

C24H54O2 — CID 160801493

IUPACmethane;2-methylnonadecan-3-ol;propan-2-ol
SMILESC.CC(C)O.CCCCCCCCCCCCCCCCC(O)C(C)C
InChIInChI=1S/C20H42O.C3H8O.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21)19(2)3;1-3(2)4;/h19-21H,4-18H2,1-3H3;3-4H,1-2H3;1H4
InChIKeySDCZPVZORAQPLI-UHFFFAOYSA-N
MW374.69 g/mol
LogP7.90
Rot. Bonds16

About methane;2-methylnonadecan-3-ol;propan-2-ol

methane;2-methylnonadecan-3-ol;propan-2-ol (PubChem CID 160801493) has the molecular formula C24H54O2 and a molecular weight of 374.69 g/mol. Its IUPAC name is methane;2-methylnonadecan-3-ol;propan-2-ol.

Molecular Properties

Compound Namemethane;2-methylnonadecan-3-ol;propan-2-ol
PubChem CID160801493
Molecular FormulaC24H54O2
Molecular Weight374.69 g/mol
Exact Mass374.41
IUPAC Namemethane;2-methylnonadecan-3-ol;propan-2-ol
SMILESC.CC(C)O.CCCCCCCCCCCCCCCCC(O)C(C)C
InChIInChI=1S/C20H42O.C3H8O.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21)19(2)3;1-3(2)4;/h19-21H,4-18H2,1-3H3;3-4H,1-2H3;1H4
InChIKeySDCZPVZORAQPLI-UHFFFAOYSA-N
XLogP7.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.69
LogP ≤ 57.90
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

nonacosane-14,15-diol
CID 91509633
2-methyldodecane-3,4-diol
CID 103456553
2,3-dimethylundecan-4-ol
CID 115783082
(2R,3S)-dodecane-2,3-diol
CID 163394646
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
octane;propan-2-ol
CID 160746796
7-methylhexadecan-8-ol
CID 122652609
16-methylheptadecane-7,8-diol
CID 118508542
8-methyltetradecan-7-ol
CID 88908615
(3S,5S)-2-methylundecane-3,5-diol
CID 14784007
pentadecane-4,5-diol
CID 103454846
heptadecane-2,5,6-triol
CID 90443080

Frequently Asked Questions

What is the IUPAC name of methane;2-methylnonadecan-3-ol;propan-2-ol?
The IUPAC name of methane;2-methylnonadecan-3-ol;propan-2-ol (CID 160801493) is methane;2-methylnonadecan-3-ol;propan-2-ol.
What is the SMILES notation for methane;2-methylnonadecan-3-ol;propan-2-ol?
The canonical SMILES for methane;2-methylnonadecan-3-ol;propan-2-ol is C.CC(C)O.CCCCCCCCCCCCCCCCC(O)C(C)C.
What is the InChIKey of methane;2-methylnonadecan-3-ol;propan-2-ol?
The InChIKey is SDCZPVZORAQPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O.C3H8O.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21)19(2)3;1-3(2)4;/h19-21H,4-18H2,1-3H3;3-4H,1-2H3;1H4.
What are the key properties of methane;2-methylnonadecan-3-ol;propan-2-ol?
methane;2-methylnonadecan-3-ol;propan-2-ol has a molecular weight of 374.69 g/mol, XLogP of 7.90, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylnonadecan-3-ol;propan-2-ol is sourced from PubChem (CID 160801493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).