1-sulfanyloxyoctane

C8H18OS — CID 131981999

IUPAC1-sulfanyloxyoctane
SMILESCCCCCCCCOS
InChIInChI=1S/C8H18OS/c1-2-3-4-5-6-7-8-9-10/h10H,2-8H2,1H3
InChIKeyZBJWWTLPQMOWEH-UHFFFAOYSA-N
MW162.30 g/mol
LogP3.21
Rot. Bonds7

About 1-sulfanyloxyoctane

1-sulfanyloxyoctane (PubChem CID 131981999) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-sulfanyloxyoctane.

Molecular Properties

Compound Name1-sulfanyloxyoctane
PubChem CID131981999
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-sulfanyloxyoctane
SMILESCCCCCCCCOS
InChIInChI=1S/C8H18OS/c1-2-3-4-5-6-7-8-9-10/h10H,2-8H2,1H3
InChIKeyZBJWWTLPQMOWEH-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-sulfanyloxypentane
CID 87932932
CID 11819822
CID 11819822
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-dodecoxyhexadecane
CID 22256973
1-octylperoxynonane
CID 151564626
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729

Frequently Asked Questions

What is the IUPAC name of 1-sulfanyloxyoctane?
The IUPAC name of 1-sulfanyloxyoctane (CID 131981999) is 1-sulfanyloxyoctane.
What is the SMILES notation for 1-sulfanyloxyoctane?
The canonical SMILES for 1-sulfanyloxyoctane is CCCCCCCCOS.
What is the InChIKey of 1-sulfanyloxyoctane?
The InChIKey is ZBJWWTLPQMOWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-2-3-4-5-6-7-8-9-10/h10H,2-8H2,1H3.
What are the key properties of 1-sulfanyloxyoctane?
1-sulfanyloxyoctane has a molecular weight of 162.30 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyloxyoctane is sourced from PubChem (CID 131981999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).