(4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine

C12H23NOSn — CID 134888443

IUPAC(4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine
SMILESCC[C@H]1CO[Sn](C)(C)N1C1=CCCCC1
InChIInChI=1S/C10H17NO.2CH3.Sn/c1-2-9(8-12)11-10-6-4-3-5-7-10;;;/h6,9H,2-5,7-8H2,1H3;2*1H3;/q-2;;;+2/t9-;;;/m0.../s1
InChIKeyFAIPDCLQZKRJJD-DXYFNVQQSA-N
MW316.03 g/mol
LogP3.26
Rot. Bonds2

About (4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine

(4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine (PubChem CID 134888443) has the molecular formula C12H23NOSn and a molecular weight of 316.03 g/mol. Its IUPAC name is (4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine.

Molecular Properties

Compound Name(4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine
PubChem CID134888443
Molecular FormulaC12H23NOSn
Molecular Weight316.03 g/mol
Exact Mass317.08
IUPAC Name(4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine
SMILESCC[C@H]1CO[Sn](C)(C)N1C1=CCCCC1
InChIInChI=1S/C10H17NO.2CH3.Sn/c1-2-9(8-12)11-10-6-4-3-5-7-10;;;/h6,9H,2-5,7-8H2,1H3;2*1H3;/q-2;;;+2/t9-;;;/m0.../s1
InChIKeyFAIPDCLQZKRJJD-DXYFNVQQSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.03
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 11019768
(2R)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810029
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
CID 14250108
1-(Cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810028
(3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine
CID 70880743

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine?
The IUPAC name of (4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine (CID 134888443) is (4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine.
What is the SMILES notation for (4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine?
The canonical SMILES for (4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine is CC[C@H]1CO[Sn](C)(C)N1C1=CCCCC1.
What is the InChIKey of (4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine?
The InChIKey is FAIPDCLQZKRJJD-DXYFNVQQSA-N. The full InChI is InChI=1S/C10H17NO.2CH3.Sn/c1-2-9(8-12)11-10-6-4-3-5-7-10;;;/h6,9H,2-5,7-8H2,1H3;2*1H3;/q-2;;;+2/t9-;;;/m0.../s1.
What are the key properties of (4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine?
(4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine has a molecular weight of 316.03 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine is sourced from PubChem (CID 134888443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).