methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol

C48H106O2 — CID 157486935

IUPACmethane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol
SMILESC.CCCCCCC(C)O.CCCCCCCCC.CCCCCCCCC(C)CO.CCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C19H40.C11H24O.C9H20.C8H18O.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-3-4-5-6-7-8-9-11(2)10-12;1-3-5-7-9-8-6-4-2;1-3-4-5-6-7-8(2)9;/h19H,4-18H2,1-3H3;11-12H,3-10H2,1-2H3;3-9H2,1-2H3;8-9H,3-7H2,1-2H3;1H4
InChIKeyBWVFKADDPUTXAV-UHFFFAOYSA-N
MW715.37 g/mol
LogP17.61
Rot. Bonds34

About methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol

methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol (PubChem CID 157486935) has the molecular formula C48H106O2 and a molecular weight of 715.37 g/mol. Its IUPAC name is methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol.

Molecular Properties

Compound Namemethane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol
PubChem CID157486935
Molecular FormulaC48H106O2
Molecular Weight715.37 g/mol
Exact Mass714.82
IUPAC Namemethane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol
SMILESC.CCCCCCC(C)O.CCCCCCCCC.CCCCCCCCC(C)CO.CCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C19H40.C11H24O.C9H20.C8H18O.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-3-4-5-6-7-8-9-11(2)10-12;1-3-5-7-9-8-6-4-2;1-3-4-5-6-7-8(2)9;/h19H,4-18H2,1-3H3;11-12H,3-10H2,1-2H3;3-9H2,1-2H3;8-9H,3-7H2,1-2H3;1H4
InChIKeyBWVFKADDPUTXAV-UHFFFAOYSA-N
XLogP17.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.37
LogP ≤ 517.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
2,6-dimethyldodecan-1-ol
CID 14392571
octan-2-ol
CID 20083
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
octan-2-ol;vanadium
CID 175998662
hydroxylamine;2-methylnonadecane
CID 87902402
2,44-dimethyltripentacontane
CID 123367078
2,10,16-trimethyloctacosane
CID 91748811

Frequently Asked Questions

What is the IUPAC name of methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol?
The IUPAC name of methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol (CID 157486935) is methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol.
What is the SMILES notation for methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol?
The canonical SMILES for methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol is C.CCCCCCC(C)O.CCCCCCCCC.CCCCCCCCC(C)CO.CCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol?
The InChIKey is BWVFKADDPUTXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40.C11H24O.C9H20.C8H18O.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-3-4-5-6-7-8-9-11(2)10-12;1-3-5-7-9-8-6-4-2;1-3-4-5-6-7-8(2)9;/h19H,4-18H2,1-3H3;11-12H,3-10H2,1-2H3;3-9H2,1-2H3;8-9H,3-7H2,1-2H3;1H4.
What are the key properties of methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol?
methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol has a molecular weight of 715.37 g/mol, XLogP of 17.61, 34 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol is sourced from PubChem (CID 157486935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).