2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane

C15H30OS — CID 11043458

IUPAC2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane
SMILESCC(C)CCCC(C)CCCC1(C)OCCS1
InChIInChI=1S/C15H30OS/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h13-14H,5-12H2,1-4H3
InChIKeyVOTRTVTXAVZEOB-UHFFFAOYSA-N
MW258.47 g/mol
LogP5.10
Rot. Bonds8

About 2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane

2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane (PubChem CID 11043458) has the molecular formula C15H30OS and a molecular weight of 258.47 g/mol. Its IUPAC name is 2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane
PubChem CID11043458
Molecular FormulaC15H30OS
Molecular Weight258.47 g/mol
Exact Mass258.20
IUPAC Name2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane
SMILESCC(C)CCCC(C)CCCC1(C)OCCS1
InChIInChI=1S/C15H30OS/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h13-14H,5-12H2,1-4H3
InChIKeyVOTRTVTXAVZEOB-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.47
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane?
The IUPAC name of 2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane (CID 11043458) is 2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane.
What is the SMILES notation for 2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane?
The canonical SMILES for 2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane is CC(C)CCCC(C)CCCC1(C)OCCS1.
What is the InChIKey of 2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane?
The InChIKey is VOTRTVTXAVZEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OS/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane?
2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane has a molecular weight of 258.47 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnonyl)-2-methyl-1,3-oxathiolane is sourced from PubChem (CID 11043458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).