2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane

C14H28OS — CID 70456183

IUPAC2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane
SMILESCCC(C)C(CCCCSC)C1CCCO1
InChIInChI=1S/C14H28OS/c1-4-12(2)13(8-5-6-11-16-3)14-9-7-10-15-14/h12-14H,4-11H2,1-3H3
InChIKeyXNBQJKCDRIFGGJ-UHFFFAOYSA-N
MW244.44 g/mol
LogP4.36
Rot. Bonds8

About 2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane

2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane (PubChem CID 70456183) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is 2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane.

Molecular Properties

Compound Name2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane
PubChem CID70456183
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane
SMILESCCC(C)C(CCCCSC)C1CCCO1
InChIInChI=1S/C14H28OS/c1-4-12(2)13(8-5-6-11-16-3)14-9-7-10-15-14/h12-14H,4-11H2,1-3H3
InChIKeyXNBQJKCDRIFGGJ-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-methyl-2-(2-methyl-1-methylsulfanylpropyl)oxane
CID 137537232
3,4,5-Trimethyl-2-methylsulfanyl-6-propan-2-yloxane
CID 20660408
2-(Methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane
CID 20662326
2-(6-Methylnonyl)-1,3-oxathiolane
CID 21429350
2-(5-Methyl-2-propan-2-ylcyclohexyl)oxythiolane
CID 22447601
2-[8-(4-Methylpentylsulfanyl)octyl]oxolane
CID 23326627
2-[14-[1-(3-Methylbutyl)cyclohexyl]sulfanyltetradecyl]oxolane
CID 23326759
1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan
CID 58210304
3-Methyl-1-(2-methylpropyl)-7-propan-2-yl-2-oxa-5-thiabicyclo[2.2.1]heptane
CID 58260126
7-Ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane
CID 59278935
2-Butan-2-yl-3,4-dimethyl-5-methylsulfanyloxolane
CID 60012731
(3R,4S,6S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane
CID 60076983

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane?
The IUPAC name of 2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane (CID 70456183) is 2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane.
What is the SMILES notation for 2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane?
The canonical SMILES for 2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane is CCC(C)C(CCCCSC)C1CCCO1.
What is the InChIKey of 2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane?
The InChIKey is XNBQJKCDRIFGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OS/c1-4-12(2)13(8-5-6-11-16-3)14-9-7-10-15-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane?
2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane has a molecular weight of 244.44 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-8-methylsulfanyloctan-4-yl)oxolane is sourced from PubChem (CID 70456183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).