2,9-bis(ethylsulfanyl)decane-1,10-diol

C14H30O2S2 — CID 154144838

IUPAC2,9-bis(ethylsulfanyl)decane-1,10-diol
SMILESCCSC(CO)CCCCCCC(CO)SCC
InChIInChI=1S/C14H30O2S2/c1-3-17-13(11-15)9-7-5-6-8-10-14(12-16)18-4-2/h13-16H,3-12H2,1-2H3
InChIKeyYQHGVNVKTNFRKO-UHFFFAOYSA-N
MW294.53 g/mol
LogP3.56
Rot. Bonds13

About 2,9-bis(ethylsulfanyl)decane-1,10-diol

2,9-bis(ethylsulfanyl)decane-1,10-diol (PubChem CID 154144838) has the molecular formula C14H30O2S2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2,9-bis(ethylsulfanyl)decane-1,10-diol.

Molecular Properties

Compound Name2,9-bis(ethylsulfanyl)decane-1,10-diol
PubChem CID154144838
Molecular FormulaC14H30O2S2
Molecular Weight294.53 g/mol
Exact Mass294.17
IUPAC Name2,9-bis(ethylsulfanyl)decane-1,10-diol
SMILESCCSC(CO)CCCCCCC(CO)SCC
InChIInChI=1S/C14H30O2S2/c1-3-17-13(11-15)9-7-5-6-8-10-14(12-16)18-4-2/h13-16H,3-12H2,1-2H3
InChIKeyYQHGVNVKTNFRKO-UHFFFAOYSA-N
XLogP3.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,9-bis(ethylsulfanyl)decane-1,10-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dodecylsulfanyltetradecan-1-ol
CID 23171959
3-(1-hydroxydecan-3-ylsulfanyl)decan-1-ol
CID 54165456
7-(disulfanyl)tetracosane
CID 175109513
(2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-heptamethyltriacontan-1-ol
CID 102327418
8-heptadecan-8-ylsulfanylheptadecane
CID 54218677
2-pentyltridecan-1-ol
CID 19896300
2-pentyldodecan-1-ol
CID 23125768
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-nonylundecan-1-ol
CID 14397092
2-pentadecylpropane-1,3-diol
CID 91351654

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(ethylsulfanyl)decane-1,10-diol?
The IUPAC name of 2,9-bis(ethylsulfanyl)decane-1,10-diol (CID 154144838) is 2,9-bis(ethylsulfanyl)decane-1,10-diol.
What is the SMILES notation for 2,9-bis(ethylsulfanyl)decane-1,10-diol?
The canonical SMILES for 2,9-bis(ethylsulfanyl)decane-1,10-diol is CCSC(CO)CCCCCCC(CO)SCC.
What is the InChIKey of 2,9-bis(ethylsulfanyl)decane-1,10-diol?
The InChIKey is YQHGVNVKTNFRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2S2/c1-3-17-13(11-15)9-7-5-6-8-10-14(12-16)18-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 2,9-bis(ethylsulfanyl)decane-1,10-diol?
2,9-bis(ethylsulfanyl)decane-1,10-diol has a molecular weight of 294.53 g/mol, XLogP of 3.56, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(ethylsulfanyl)decane-1,10-diol is sourced from PubChem (CID 154144838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).