(3R)-3-(5-methylhexyl)dithiolane

C10H20S2 — CID 134168405

IUPAC(3R)-3-(5-methylhexyl)dithiolane
SMILESCC(C)CCCC[C@@H]1CCSS1
InChIInChI=1S/C10H20S2/c1-9(2)5-3-4-6-10-7-8-11-12-10/h9-10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeySMDPUQLIIFNOGF-SNVBAGLBSA-N
MW204.40 g/mol
LogP4.36
Rot. Bonds5

About (3R)-3-(5-methylhexyl)dithiolane

(3R)-3-(5-methylhexyl)dithiolane (PubChem CID 134168405) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is (3R)-3-(5-methylhexyl)dithiolane.

Molecular Properties

Compound Name(3R)-3-(5-methylhexyl)dithiolane
PubChem CID134168405
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name(3R)-3-(5-methylhexyl)dithiolane
SMILESCC(C)CCCC[C@@H]1CCSS1
InChIInChI=1S/C10H20S2/c1-9(2)5-3-4-6-10-7-8-11-12-10/h9-10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeySMDPUQLIIFNOGF-SNVBAGLBSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(11,11-dimethyldodecyl)dithiolane
CID 59717736
5-(dithiolan-3-yl)pentanal
CID 23587421
3-(7-methyl-5-methylidenenonyl)dithiolane
CID 174345929
ethane;ethoxyethane;3-pentyldithiolane
CID 143672531
5-(dithiolan-3-yl)-2-ethylpentanoic acid
CID 174556296
5-(dithiolan-3-yl)pentanal;oxophosphane
CID 90421880
2-hydroxypropyl 5-(dithiolan-3-yl)pentanoate
CID 168800404
(3R)-3-(6,6-dimethyl-5-methylideneheptyl)dithiolane
CID 58416612
copper;acetic acid;bis(5-(dithiolan-3-yl)pentanoic acid)
CID 10119482
2-[2-[2-[2-[(2R)-2,3-bis[(3S,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl 5-[(3R)-dithiolan-3-yl]pentanoate
CID 101257224
5-(dithiolan-3-yl)pentanoic acid;hydrochloride
CID 87930761
(3S)-3-[4-(iodomethyliodanuidyl)butyl]dithiolane
CID 163265143

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-methylhexyl)dithiolane?
The IUPAC name of (3R)-3-(5-methylhexyl)dithiolane (CID 134168405) is (3R)-3-(5-methylhexyl)dithiolane.
What is the SMILES notation for (3R)-3-(5-methylhexyl)dithiolane?
The canonical SMILES for (3R)-3-(5-methylhexyl)dithiolane is CC(C)CCCC[C@@H]1CCSS1.
What is the InChIKey of (3R)-3-(5-methylhexyl)dithiolane?
The InChIKey is SMDPUQLIIFNOGF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20S2/c1-9(2)5-3-4-6-10-7-8-11-12-10/h9-10H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-(5-methylhexyl)dithiolane?
(3R)-3-(5-methylhexyl)dithiolane has a molecular weight of 204.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-methylhexyl)dithiolane is sourced from PubChem (CID 134168405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).