2-decan-2-yloxyethanol;sulfuric acid

C12H28O6S — CID 158151690

IUPAC2-decan-2-yloxyethanol;sulfuric acid
SMILESCCCCCCCCC(C)OCCO.O=S(=O)(O)O
InChIInChI=1S/C12H26O2.H2O4S/c1-3-4-5-6-7-8-9-12(2)14-11-10-13;1-5(2,3)4/h12-13H,3-11H2,1-2H3;(H2,1,2,3,4)
InChIKeyFVEOVJDRNRYHDW-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.48
Rot. Bonds10

About 2-decan-2-yloxyethanol;sulfuric acid

2-decan-2-yloxyethanol;sulfuric acid (PubChem CID 158151690) has the molecular formula C12H28O6S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-decan-2-yloxyethanol;sulfuric acid.

Molecular Properties

Compound Name2-decan-2-yloxyethanol;sulfuric acid
PubChem CID158151690
Molecular FormulaC12H28O6S
Molecular Weight300.42 g/mol
Exact Mass300.16
IUPAC Name2-decan-2-yloxyethanol;sulfuric acid
SMILESCCCCCCCCC(C)OCCO.O=S(=O)(O)O
InChIInChI=1S/C12H26O2.H2O4S/c1-3-4-5-6-7-8-9-12(2)14-11-10-13;1-5(2,3)4/h12-13H,3-11H2,1-2H3;(H2,1,2,3,4)
InChIKeyFVEOVJDRNRYHDW-UHFFFAOYSA-N
XLogP2.48
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-(1-octan-2-yloxypropan-2-yloxy)ethanol
CID 20688305
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952
sodium;2-ethoxydodecane;hydride;sulfuric acid
CID 173094460
2-[2-(2-decan-2-yloxyethoxy)ethoxy]ethanol
CID 87813837
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
sulfuric acid;O-tetradecan-2-ylhydroxylamine
CID 88818461
(4R)-4-propoxypentan-1-ol
CID 54320299
octan-2-yloxymethanol
CID 57306212
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429

Frequently Asked Questions

What is the IUPAC name of 2-decan-2-yloxyethanol;sulfuric acid?
The IUPAC name of 2-decan-2-yloxyethanol;sulfuric acid (CID 158151690) is 2-decan-2-yloxyethanol;sulfuric acid.
What is the SMILES notation for 2-decan-2-yloxyethanol;sulfuric acid?
The canonical SMILES for 2-decan-2-yloxyethanol;sulfuric acid is CCCCCCCCC(C)OCCO.O=S(=O)(O)O.
What is the InChIKey of 2-decan-2-yloxyethanol;sulfuric acid?
The InChIKey is FVEOVJDRNRYHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2.H2O4S/c1-3-4-5-6-7-8-9-12(2)14-11-10-13;1-5(2,3)4/h12-13H,3-11H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 2-decan-2-yloxyethanol;sulfuric acid?
2-decan-2-yloxyethanol;sulfuric acid has a molecular weight of 300.42 g/mol, XLogP of 2.48, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-2-yloxyethanol;sulfuric acid is sourced from PubChem (CID 158151690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).