4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol

C14H26O2S — CID 79923999

IUPAC4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol
SMILESCC(C)C(O)CCC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H26O2S/c1-11(2)13(15)4-3-12-5-7-16-14(9-12)6-8-17-10-14/h11-13,15H,3-10H2,1-2H3
InChIKeyWLFPBJQDBJJLSA-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.09
Rot. Bonds4

About 4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol

4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol (PubChem CID 79923999) has the molecular formula C14H26O2S and a molecular weight of 258.43 g/mol. Its IUPAC name is 4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol
PubChem CID79923999
Molecular FormulaC14H26O2S
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol
SMILESCC(C)C(O)CCC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H26O2S/c1-11(2)13(15)4-3-12-5-7-16-14(9-12)6-8-17-10-14/h11-13,15H,3-10H2,1-2H3
InChIKeyWLFPBJQDBJJLSA-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol 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

N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine
CID 79922985
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 79922491
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-one
CID 79894494
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
CID 79915541
N-[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]cyclopropanamine
CID 79920791
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79923979
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 107443240
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylpropan-1-amine
CID 79922745
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 115788152
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
CID 79923117

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol?
The IUPAC name of 4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol (CID 79923999) is 4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol.
What is the SMILES notation for 4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol?
The canonical SMILES for 4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol is CC(C)C(O)CCC1CCOC2(CCSC2)C1.
What is the InChIKey of 4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol?
The InChIKey is WLFPBJQDBJJLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S/c1-11(2)13(15)4-3-12-5-7-16-14(9-12)6-8-17-10-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol?
4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol has a molecular weight of 258.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol is sourced from PubChem (CID 79923999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).