10-methyltetradecan-2-ol;sulfuric acid

C15H34O5S — CID 87592713

IUPAC10-methyltetradecan-2-ol;sulfuric acid
SMILESCCCCC(C)CCCCCCCC(C)O.O=S(=O)(O)O
InChIInChI=1S/C15H32O.H2O4S/c1-4-5-11-14(2)12-9-7-6-8-10-13-15(3)16;1-5(2,3)4/h14-16H,4-13H2,1-3H3;(H2,1,2,3,4)
InChIKeyRVFFKLIQGCBDMW-UHFFFAOYSA-N
MW326.50 g/mol
LogP4.27
Rot. Bonds11

About 10-methyltetradecan-2-ol;sulfuric acid

10-methyltetradecan-2-ol;sulfuric acid (PubChem CID 87592713) has the molecular formula C15H34O5S and a molecular weight of 326.50 g/mol. Its IUPAC name is 10-methyltetradecan-2-ol;sulfuric acid.

Molecular Properties

Compound Name10-methyltetradecan-2-ol;sulfuric acid
PubChem CID87592713
Molecular FormulaC15H34O5S
Molecular Weight326.50 g/mol
Exact Mass326.21
IUPAC Name10-methyltetradecan-2-ol;sulfuric acid
SMILESCCCCC(C)CCCCCCCC(C)O.O=S(=O)(O)O
InChIInChI=1S/C15H32O.H2O4S/c1-4-5-11-14(2)12-9-7-6-8-10-13-15(3)16;1-5(2,3)4/h14-16H,4-13H2,1-3H3;(H2,1,2,3,4)
InChIKeyRVFFKLIQGCBDMW-UHFFFAOYSA-N
XLogP4.27
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.50
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azane;4-methylhexadecane;sulfuric acid
CID 174730502
5-methyldodecan-1-ol;sulfuric acid
CID 87950603
11-methylhexadecan-1-ol;sulfuric acid
CID 87591913
10-methylhexadecan-1-ol;sulfuric acid
CID 87592711
2,6-dimethyldodecan-1-ol;sulfuric acid
CID 87950586
henicosan-2-ol
CID 14151023
(2S)-octadecan-2-ol
CID 25022019
octan-2-ol
CID 20083
docosan-2-ol
CID 14151025
heptane;heptan-2-ol
CID 157400640
octadecane-2,14-diol
CID 170722506
octan-2-ol;vanadium
CID 175998662

Frequently Asked Questions

What is the IUPAC name of 10-methyltetradecan-2-ol;sulfuric acid?
The IUPAC name of 10-methyltetradecan-2-ol;sulfuric acid (CID 87592713) is 10-methyltetradecan-2-ol;sulfuric acid.
What is the SMILES notation for 10-methyltetradecan-2-ol;sulfuric acid?
The canonical SMILES for 10-methyltetradecan-2-ol;sulfuric acid is CCCCC(C)CCCCCCCC(C)O.O=S(=O)(O)O.
What is the InChIKey of 10-methyltetradecan-2-ol;sulfuric acid?
The InChIKey is RVFFKLIQGCBDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O.H2O4S/c1-4-5-11-14(2)12-9-7-6-8-10-13-15(3)16;1-5(2,3)4/h14-16H,4-13H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 10-methyltetradecan-2-ol;sulfuric acid?
10-methyltetradecan-2-ol;sulfuric acid has a molecular weight of 326.50 g/mol, XLogP of 4.27, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyltetradecan-2-ol;sulfuric acid is sourced from PubChem (CID 87592713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).