sulfuric acid;tetradecan-1-ol

C14H32O5S — CID 87699970

IUPACsulfuric acid;tetradecan-1-ol
SMILESCCCCCCCCCCCCCCO.O=S(=O)(O)O
InChIInChI=1S/C14H30O.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-5(2,3)4/h15H,2-14H2,1H3;(H2,1,2,3,4)
InChIKeyQDCNZEXIIVAQDN-UHFFFAOYSA-N
MW312.47 g/mol
LogP4.03
Rot. Bonds12

About sulfuric acid;tetradecan-1-ol

sulfuric acid;tetradecan-1-ol (PubChem CID 87699970) has the molecular formula C14H32O5S and a molecular weight of 312.47 g/mol. Its IUPAC name is sulfuric acid;tetradecan-1-ol.

Molecular Properties

Compound Namesulfuric acid;tetradecan-1-ol
PubChem CID87699970
Molecular FormulaC14H32O5S
Molecular Weight312.47 g/mol
Exact Mass312.20
IUPAC Namesulfuric acid;tetradecan-1-ol
SMILESCCCCCCCCCCCCCCO.O=S(=O)(O)O
InChIInChI=1S/C14H30O.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-5(2,3)4/h15H,2-14H2,1H3;(H2,1,2,3,4)
InChIKeyQDCNZEXIIVAQDN-UHFFFAOYSA-N
XLogP4.03
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.47
LogP ≤ 54.03
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

sulfuric acid;tetradecane;tetradecan-1-ol;hydrate
CID 174900097
octan-1-ol;sulfuric acid;zinc
CID 174737842
dodecan-1-ol;sulfane;sulfuric acid
CID 174348674
pentan-1-ol;sulfuric acid
CID 87844098
magnesium;dodecan-1-ol;hydride;sulfuric acid
CID 174836259
sodium;dodecan-1-ol;hydride;sulfuric acid;hydrate
CID 173456985
sodium;hydride;pentan-1-ol;sulfuric acid
CID 175097757
sulfuric acid;tridecane
CID 91872702
sodium;sulfuric acid;tetradecane
CID 170922474
undecan-1-ol
CID 122455065
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;tetradecan-1-ol?
The IUPAC name of sulfuric acid;tetradecan-1-ol (CID 87699970) is sulfuric acid;tetradecan-1-ol.
What is the SMILES notation for sulfuric acid;tetradecan-1-ol?
The canonical SMILES for sulfuric acid;tetradecan-1-ol is CCCCCCCCCCCCCCO.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;tetradecan-1-ol?
The InChIKey is QDCNZEXIIVAQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-5(2,3)4/h15H,2-14H2,1H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;tetradecan-1-ol?
sulfuric acid;tetradecan-1-ol has a molecular weight of 312.47 g/mol, XLogP of 4.03, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;tetradecan-1-ol is sourced from PubChem (CID 87699970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).