4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane

C14H26OS — CID 174287880

IUPAC4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane
SMILESCC(C)C1COC(CC(C)C2CCSC2)C1
InChIInChI=1S/C14H26OS/c1-10(2)13-7-14(15-8-13)6-11(3)12-4-5-16-9-12/h10-14H,4-9H2,1-3H3
InChIKeyYZGFUPBSAKXIMT-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.83
Rot. Bonds4

About 4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane

4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane (PubChem CID 174287880) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is 4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane.

Molecular Properties

Compound Name4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane
PubChem CID174287880
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane
SMILESCC(C)C1COC(CC(C)C2CCSC2)C1
InChIInChI=1S/C14H26OS/c1-10(2)13-7-14(15-8-13)6-11(3)12-4-5-16-9-12/h10-14H,4-9H2,1-3H3
InChIKeyYZGFUPBSAKXIMT-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-Methyl-2-(2-methyl-5-propan-2-ylthiolan-3-yl)sulfanyloxolane
CID 22766075
2-[13-(1-Propylcyclopentyl)sulfanyltridecyl]oxolane
CID 23326555
2-[8-(4-Methylpentylsulfanyl)octyl]oxolane
CID 23326627
2-[9-(1-Butylcyclopentyl)sulfanylnonyl]oxolane
CID 23326673
2-[14-[1-(3-Methylbutyl)cyclohexyl]sulfanyltetradecyl]oxolane
CID 23326759
2-[12-(1-Cyclopentylcyclohexyl)sulfanyldodecyl]oxolane
CID 23326765
2-[12-Methyl-8-[2-methyl-13-(oxolan-2-yl)tridecan-6-yl]sulfanyltridecyl]oxolane
CID 54333232
2-[2-(Oxolan-2-yl)thiolan-3-yl]oxane
CID 54411948
2-[5-[4-(Oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane
CID 57300225

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane?
The IUPAC name of 4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane (CID 174287880) is 4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane.
What is the SMILES notation for 4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane?
The canonical SMILES for 4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane is CC(C)C1COC(CC(C)C2CCSC2)C1.
What is the InChIKey of 4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane?
The InChIKey is YZGFUPBSAKXIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS/c1-10(2)13-7-14(15-8-13)6-11(3)12-4-5-16-9-12/h10-14H,4-9H2,1-3H3.
What are the key properties of 4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane?
4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane has a molecular weight of 242.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[2-(thiolan-3-yl)propyl]oxolane is sourced from PubChem (CID 174287880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).