methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate

C14H24O3S — CID 79905208

IUPACmethyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate
SMILESCOC(=O)C(C)CSC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O3S/c1-11(13(15)16-2)10-18-12-5-8-17-14(9-12)6-3-4-7-14/h11-12H,3-10H2,1-2H3
InChIKeySIOXMKOQPOSKRQ-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.02
Rot. Bonds4

About methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate

methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate (PubChem CID 79905208) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate
PubChem CID79905208
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Namemethyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate
SMILESCOC(=O)C(C)CSC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O3S/c1-11(13(15)16-2)10-18-12-5-8-17-14(9-12)6-3-4-7-14/h11-12H,3-10H2,1-2H3
InChIKeySIOXMKOQPOSKRQ-UHFFFAOYSA-N
XLogP3.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol
CID 79902946
methyl 3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 62989798
3-methoxy-2-(6-oxaspiro[4.5]decan-9-yl)-3-oxopropanoic acid
CID 113360322
1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79905784
methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
CID 79912845
3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)butanoic acid
CID 79904238
2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine
CID 79905570
(2R)-2-amino-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propanoic acid
CID 79906197
2-acetamido-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propanoic acid
CID 79905395
2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79906009
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116594794
3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate?
The IUPAC name of methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate (CID 79905208) is methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate?
The canonical SMILES for methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate is COC(=O)C(C)CSC1CCOC2(CCCC2)C1.
What is the InChIKey of methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate?
The InChIKey is SIOXMKOQPOSKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c1-11(13(15)16-2)10-18-12-5-8-17-14(9-12)6-3-4-7-14/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate?
methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate has a molecular weight of 272.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate is sourced from PubChem (CID 79905208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).