[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate

C14H22O3S — CID 10978536

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[S@@](=O)c1ccco1
InChIInChI=1S/C14H22O3S/c1-10(2)12-7-6-11(3)9-13(12)17-18(15)14-5-4-8-16-14/h4-5,8,10-13H,6-7,9H2,1-3H3/t11-,12+,13-,18-/m1/s1
InChIKeyCRYKEJHGJADNJI-SJBDTSRBSA-N
MW270.39 g/mol
LogP3.78
Rot. Bonds4

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate (PubChem CID 10978536) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate
PubChem CID10978536
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[S@@](=O)c1ccco1
InChIInChI=1S/C14H22O3S/c1-10(2)12-7-6-11(3)9-13(12)17-18(15)14-5-4-8-16-14/h4-5,8,10-13H,6-7,9H2,1-3H3/t11-,12+,13-,18-/m1/s1
InChIKeyCRYKEJHGJADNJI-SJBDTSRBSA-N
XLogP3.78
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate with MolForge

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Related Compounds

2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyfuran
CID 71368513
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-iodobenzenesulfinate
CID 134935222
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (S)-ethanesulfinate
CID 178184208
2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan
CID 101001931
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate
CID 11161606
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-3,5-ditert-butyl-4-methoxybenzenesulfinate
CID 10550180
N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62571265
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylsulfanylphosphoryl]benzene
CID 132512875
(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate
CID 2750811
(5-methyl-2-propan-2-ylcyclohexyl) 4-(difluoromethoxy)-1H-benzimidazole-2-sulfinate
CID 90952184
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate (CID 10978536) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[S@@](=O)c1ccco1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate?
The InChIKey is CRYKEJHGJADNJI-SJBDTSRBSA-N. The full InChI is InChI=1S/C14H22O3S/c1-10(2)12-7-6-11(3)9-13(12)17-18(15)14-5-4-8-16-14/h4-5,8,10-13H,6-7,9H2,1-3H3/t11-,12+,13-,18-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate has a molecular weight of 270.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate is sourced from PubChem (CID 10978536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).