2-cyclohexyl-4-methyl-1,3-oxathiane

C11H20OS — CID 59309454

IUPAC2-cyclohexyl-4-methyl-1,3-oxathiane
SMILESCC1CCOC(C2CCCCC2)S1
InChIInChI=1S/C11H20OS/c1-9-7-8-12-11(13-9)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKeyUTLMSKTWBOWHLQ-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.43
Rot. Bonds1

About 2-cyclohexyl-4-methyl-1,3-oxathiane

2-cyclohexyl-4-methyl-1,3-oxathiane (PubChem CID 59309454) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-cyclohexyl-4-methyl-1,3-oxathiane.

Molecular Properties

Compound Name2-cyclohexyl-4-methyl-1,3-oxathiane
PubChem CID59309454
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-cyclohexyl-4-methyl-1,3-oxathiane
SMILESCC1CCOC(C2CCCCC2)S1
InChIInChI=1S/C11H20OS/c1-9-7-8-12-11(13-9)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKeyUTLMSKTWBOWHLQ-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methyl-2-(2-methyl-1-methylsulfanylpropyl)oxane
CID 137537232
(1-Ethoxy-1-methylsulfanylethyl)cyclohexane
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5-(3-Methylbutyl)-2-propyl-1,3-oxathiane
CID 12329615
Iabknrswbcbjpj-mnovxskesa-
CID 23240277
2-Heptyl-4,4-dimethyl-1,3-oxathiane
CID 18539817
4-(Thian-3-yl)oxane
CID 18791032
2-Cyclohexyl-1,3-oxathiane
CID 19349491
2-Cyclohexyl-1,4-oxathiane
CID 19349500
2-(4-Ethynylcyclohexyl)-5-isopropyl-1,3-oxathiane
CID 19990639
2,3,4,4a,5,7,8,8a-Octahydrothiopyrano[3,2-c]pyran
CID 20146015
3,4,5-Trimethyl-2-methylsulfanyl-6-propan-2-yloxane
CID 20660408
2-[14-(1-Hexylcyclohexyl)sulfanyltetradecyl]oxane
CID 23326644

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-methyl-1,3-oxathiane?
The IUPAC name of 2-cyclohexyl-4-methyl-1,3-oxathiane (CID 59309454) is 2-cyclohexyl-4-methyl-1,3-oxathiane.
What is the SMILES notation for 2-cyclohexyl-4-methyl-1,3-oxathiane?
The canonical SMILES for 2-cyclohexyl-4-methyl-1,3-oxathiane is CC1CCOC(C2CCCCC2)S1.
What is the InChIKey of 2-cyclohexyl-4-methyl-1,3-oxathiane?
The InChIKey is UTLMSKTWBOWHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-9-7-8-12-11(13-9)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-4-methyl-1,3-oxathiane?
2-cyclohexyl-4-methyl-1,3-oxathiane has a molecular weight of 200.35 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-methyl-1,3-oxathiane is sourced from PubChem (CID 59309454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).