2-(6-methylnonan-4-yl)-1,3-oxathiane

C14H28OS — CID 149159070

IUPAC2-(6-methylnonan-4-yl)-1,3-oxathiane
SMILESCCCC(C)CC(CCC)C1OCCCS1
InChIInChI=1S/C14H28OS/c1-4-7-12(3)11-13(8-5-2)14-15-9-6-10-16-14/h12-14H,4-11H2,1-3H3
InChIKeyOHEGDQLLWBOCAB-UHFFFAOYSA-N
MW244.44 g/mol
LogP4.71
Rot. Bonds7

About 2-(6-methylnonan-4-yl)-1,3-oxathiane

2-(6-methylnonan-4-yl)-1,3-oxathiane (PubChem CID 149159070) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is 2-(6-methylnonan-4-yl)-1,3-oxathiane.

Molecular Properties

Compound Name2-(6-methylnonan-4-yl)-1,3-oxathiane
PubChem CID149159070
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name2-(6-methylnonan-4-yl)-1,3-oxathiane
SMILESCCCC(C)CC(CCC)C1OCCCS1
InChIInChI=1S/C14H28OS/c1-4-7-12(3)11-13(8-5-2)14-15-9-6-10-16-14/h12-14H,4-11H2,1-3H3
InChIKeyOHEGDQLLWBOCAB-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

S-[2-methyl-1-[(4R)-4-methyloxan-2-yl]propyl] ethanethioate
CID 137518997
(4R)-4-methyl-2-(2-methyl-1-methylsulfanylpropyl)oxane
CID 137537232
(1-Ethoxy-1-methylsulfanylethyl)cyclohexane
CID 85970183
(1-Ethoxy-1-methylsulfanylpentyl)cyclohexane
CID 85970185
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-Ethyl-4-heptyl-1,3-oxathiane
CID 20514291
2-Octyl-4-propyl-1,3-oxathiane
CID 20514294

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylnonan-4-yl)-1,3-oxathiane?
The IUPAC name of 2-(6-methylnonan-4-yl)-1,3-oxathiane (CID 149159070) is 2-(6-methylnonan-4-yl)-1,3-oxathiane.
What is the SMILES notation for 2-(6-methylnonan-4-yl)-1,3-oxathiane?
The canonical SMILES for 2-(6-methylnonan-4-yl)-1,3-oxathiane is CCCC(C)CC(CCC)C1OCCCS1.
What is the InChIKey of 2-(6-methylnonan-4-yl)-1,3-oxathiane?
The InChIKey is OHEGDQLLWBOCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OS/c1-4-7-12(3)11-13(8-5-2)14-15-9-6-10-16-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(6-methylnonan-4-yl)-1,3-oxathiane?
2-(6-methylnonan-4-yl)-1,3-oxathiane has a molecular weight of 244.44 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylnonan-4-yl)-1,3-oxathiane is sourced from PubChem (CID 149159070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).