2-pentyl-1,3-oxathiolane

C8H16OS — CID 11147880

IUPAC2-pentyl-1,3-oxathiolane
SMILESCCCCCC1OCCS1
InChIInChI=1S/C8H16OS/c1-2-3-4-5-8-9-6-7-10-8/h8H,2-7H2,1H3
InChIKeyDLUNVVQHICFZDQ-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.66
Rot. Bonds4

About 2-pentyl-1,3-oxathiolane

2-pentyl-1,3-oxathiolane (PubChem CID 11147880) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-pentyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-pentyl-1,3-oxathiolane
PubChem CID11147880
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-pentyl-1,3-oxathiolane
SMILESCCCCCC1OCCS1
InChIInChI=1S/C8H16OS/c1-2-3-4-5-8-9-6-7-10-8/h8H,2-7H2,1H3
InChIKeyDLUNVVQHICFZDQ-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.66
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

cis-2-Methyl-4-propyl-1,3-oxathiane
CID 101010
2-Methyl-4-propyl-1,3-oxathiane, trans-
CID 6931726
2-Pentyl-4-propyl-1,3-oxathiane
CID 20514321
1-Oxa-4-thiaspiro[4.5]decane
CID 9094
1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4S)-rel-
CID 6931728
(2R,4S)-2-methyl-4-propyl-1,3-oxathiane
CID 6931725
2-Ethyl-3-(methylsulfanyl)oxolane
CID 15720837
trans-2-Methyl-4-n-propyl-1,3-oxathiane
CID 6931727
(2R,3S,4S)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methylthiolane
CID 118516563
2-Heptan-3-yl-1,3-oxathiolane
CID 306084
2,2-Dimethyl-4-propyl-1,3-oxathiane
CID 560097
2-(Ethoxymethyl)thiolane
CID 57745305

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,3-oxathiolane?
The IUPAC name of 2-pentyl-1,3-oxathiolane (CID 11147880) is 2-pentyl-1,3-oxathiolane.
What is the SMILES notation for 2-pentyl-1,3-oxathiolane?
The canonical SMILES for 2-pentyl-1,3-oxathiolane is CCCCCC1OCCS1.
What is the InChIKey of 2-pentyl-1,3-oxathiolane?
The InChIKey is DLUNVVQHICFZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-2-3-4-5-8-9-6-7-10-8/h8H,2-7H2,1H3.
What are the key properties of 2-pentyl-1,3-oxathiolane?
2-pentyl-1,3-oxathiolane has a molecular weight of 160.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,3-oxathiolane is sourced from PubChem (CID 11147880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).