methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate

C14H24O3S2 — CID 102483786

IUPACmethyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate
SMILESCOC(=O)C[C@H]1CC2(C[C@@H](C(C)C)O1)SCCCS2
InChIInChI=1S/C14H24O3S2/c1-10(2)12-9-14(18-5-4-6-19-14)8-11(17-12)7-13(15)16-3/h10-12H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyAGNSMJUCXBMDQO-RYUDHWBXSA-N
MW304.48 g/mol
LogP3.32
Rot. Bonds3

About methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate

methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate (PubChem CID 102483786) has the molecular formula C14H24O3S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate
PubChem CID102483786
Molecular FormulaC14H24O3S2
Molecular Weight304.48 g/mol
Exact Mass304.12
IUPAC Namemethyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate
SMILESCOC(=O)C[C@H]1CC2(C[C@@H](C(C)C)O1)SCCCS2
InChIInChI=1S/C14H24O3S2/c1-10(2)12-9-14(18-5-4-6-19-14)8-11(17-12)7-13(15)16-3/h10-12H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyAGNSMJUCXBMDQO-RYUDHWBXSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate?
The IUPAC name of methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate (CID 102483786) is methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate.
What is the SMILES notation for methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate?
The canonical SMILES for methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate is COC(=O)C[C@H]1CC2(C[C@@H](C(C)C)O1)SCCCS2.
What is the InChIKey of methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate?
The InChIKey is AGNSMJUCXBMDQO-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24O3S2/c1-10(2)12-9-14(18-5-4-6-19-14)8-11(17-12)7-13(15)16-3/h10-12H,4-9H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate?
methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate has a molecular weight of 304.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(8S,10S)-10-propan-2-yl-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate is sourced from PubChem (CID 102483786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).