butyl tetradecyl sulfite

C18H38O3S — CID 6420804

IUPACbutyl tetradecyl sulfite
SMILESCCCCCCCCCCCCCCOS(=O)OCCCC
InChIInChI=1S/C18H38O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-21-22(19)20-17-6-4-2/h3-18H2,1-2H3
InChIKeyNPDPUHKVIURDRJ-UHFFFAOYSA-N
MW334.57 g/mol
LogP6.10
Rot. Bonds18

About butyl tetradecyl sulfite

butyl tetradecyl sulfite (PubChem CID 6420804) has the molecular formula C18H38O3S and a molecular weight of 334.57 g/mol. Its IUPAC name is butyl tetradecyl sulfite.

Molecular Properties

Compound Namebutyl tetradecyl sulfite
PubChem CID6420804
Molecular FormulaC18H38O3S
Molecular Weight334.57 g/mol
Exact Mass334.25
IUPAC Namebutyl tetradecyl sulfite
SMILESCCCCCCCCCCCCCCOS(=O)OCCCC
InChIInChI=1S/C18H38O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-21-22(19)20-17-6-4-2/h3-18H2,1-2H3
InChIKeyNPDPUHKVIURDRJ-UHFFFAOYSA-N
XLogP6.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.57
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentadecyl pentyl sulfite
CID 6421054
butyl pentyl sulfite
CID 6420768
pentyl undecyl sulfite
CID 6421050
ethyl hexyl sulfite
CID 87282770
chloro octyl sulfite
CID 19822778
decyl prop-2-ynyl sulfite
CID 98531560
nonadecyl hydrogen sulfite
CID 57310669
heptadecyl hydrogen sulfite
CID 57062838
(4-methoxy-2-methylbutyl) undecyl sulfite
CID 6421838
methane;octyl sulfite
CID 159287523
butyl sulfino sulfite
CID 152733592
potassium;hydride;octyl sulfite
CID 174439661

Frequently Asked Questions

What is the IUPAC name of butyl tetradecyl sulfite?
The IUPAC name of butyl tetradecyl sulfite (CID 6420804) is butyl tetradecyl sulfite.
What is the SMILES notation for butyl tetradecyl sulfite?
The canonical SMILES for butyl tetradecyl sulfite is CCCCCCCCCCCCCCOS(=O)OCCCC.
What is the InChIKey of butyl tetradecyl sulfite?
The InChIKey is NPDPUHKVIURDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-21-22(19)20-17-6-4-2/h3-18H2,1-2H3.
What are the key properties of butyl tetradecyl sulfite?
butyl tetradecyl sulfite has a molecular weight of 334.57 g/mol, XLogP of 6.10, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl tetradecyl sulfite is sourced from PubChem (CID 6420804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).