(2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane

C14H31OPS — CID 155439505

IUPAC(2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane
SMILESCCCCCCC(C)S(=O)C(C)(C)C(C)(C)P
InChIInChI=1S/C14H31OPS/c1-7-8-9-10-11-12(2)17(15)14(5,6)13(3,4)16/h12H,7-11,16H2,1-6H3
InChIKeyFUFBIZGKIUZDSU-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.53
Rot. Bonds8

About (2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane

(2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane (PubChem CID 155439505) has the molecular formula C14H31OPS and a molecular weight of 278.44 g/mol. Its IUPAC name is (2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane.

Molecular Properties

Compound Name(2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane
PubChem CID155439505
Molecular FormulaC14H31OPS
Molecular Weight278.44 g/mol
Exact Mass278.18
IUPAC Name(2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane
SMILESCCCCCCC(C)S(=O)C(C)(C)C(C)(C)P
InChIInChI=1S/C14H31OPS/c1-7-8-9-10-11-12(2)17(15)14(5,6)13(3,4)16/h12H,7-11,16H2,1-6H3
InChIKeyFUFBIZGKIUZDSU-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptane-2-sulfinate
CID 57081380
2,3-dimethylnonan-2-ylphosphane;hydroiodide
CID 173158055
heptadecan-2-ylphosphane
CID 154117788
pentadecan-2-ylphosphane
CID 154118597
decan-2-ylphosphane;thulium
CID 87745416
3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride
CID 173417592
2,2,3-trimethylundecane
CID 21285055
decyl-dimethyl-nonylphosphanium
CID 87732648
2-amino-3-methylheptadecan-2-ol
CID 88695872
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
hydrogen sulfite;trimethyl(octyl)phosphanium
CID 173242970
2-methyldecane
CID 23415

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane?
The IUPAC name of (2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane (CID 155439505) is (2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane.
What is the SMILES notation for (2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane?
The canonical SMILES for (2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane is CCCCCCC(C)S(=O)C(C)(C)C(C)(C)P.
What is the InChIKey of (2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane?
The InChIKey is FUFBIZGKIUZDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31OPS/c1-7-8-9-10-11-12(2)17(15)14(5,6)13(3,4)16/h12H,7-11,16H2,1-6H3.
What are the key properties of (2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane?
(2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane has a molecular weight of 278.44 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-3-octan-2-ylsulfinylbutan-2-yl)phosphane is sourced from PubChem (CID 155439505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).