1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene]

C16H22OS — CID 101156729

IUPAC1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene]
SMILESCC1COC2(S1)C(C)(C)c1ccccc1C2(C)C
InChIInChI=1S/C16H22OS/c1-11-10-17-16(18-11)14(2,3)12-8-6-7-9-13(12)15(16,4)5/h6-9,11H,10H2,1-5H3
InChIKeyRUUVVVHEFYMILB-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.10
Rot. Bonds

About 1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene]

1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene] (PubChem CID 101156729) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene].

Molecular Properties

Compound Name1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene]
PubChem CID101156729
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene]
SMILESCC1COC2(S1)C(C)(C)c1ccccc1C2(C)C
InChIInChI=1S/C16H22OS/c1-11-10-17-16(18-11)14(2,3)12-8-6-7-9-13(12)15(16,4)5/h6-9,11H,10H2,1-5H3
InChIKeyRUUVVVHEFYMILB-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4,5-Difluorospiro[1,2-dihydroindene-3,2'-1,3-dithiolane]-2-yl)-2-pentyloxane
CID 134456977
(4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
CID 11277350
(1'R,2S,4R,4'R)-1',7',7'-trimethyl-4-phenylspiro[1,3-oxathiolane-2,2'-bicyclo[2.2.1]heptane]
CID 101258232
(1'R,2R,4R,4'R)-1',7',7'-trimethyl-4-phenylspiro[1,3-oxathiolane-2,2'-bicyclo[2.2.1]heptane]
CID 101258235
(2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]
CID 166445821
1',1',3',3'-Tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156724
1',1',3',3',5-Pentamethylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156727
5-Butyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156728
4-Butyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156730
9-(Methoxymethyl)-9-(methylsulfanylmethyl)fluorene
CID 86045628
9-(Ethylsulfanylmethyl)-9-(methoxymethyl)fluorene
CID 86045629
9-(Methoxymethyl)-9-(propylsulfanylmethyl)fluorene
CID 86045630

Frequently Asked Questions

What is the IUPAC name of 1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene]?
The IUPAC name of 1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene] (CID 101156729) is 1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene].
What is the SMILES notation for 1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene]?
The canonical SMILES for 1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene] is CC1COC2(S1)C(C)(C)c1ccccc1C2(C)C.
What is the InChIKey of 1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene]?
The InChIKey is RUUVVVHEFYMILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c1-11-10-17-16(18-11)14(2,3)12-8-6-7-9-13(12)15(16,4)5/h6-9,11H,10H2,1-5H3.
What are the key properties of 1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene]?
1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene] has a molecular weight of 262.42 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1',3',3',4-pentamethylspiro[1,3-oxathiolane-2,2'-indene] is sourced from PubChem (CID 101156729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).