2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol

C14H26O2S — CID 79902946

IUPAC2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol
SMILESCC(CO)CSC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H26O2S/c1-12(10-15)11-17-13-5-8-16-14(9-13)6-3-2-4-7-14/h12-13,15H,2-11H2,1H3
InChIKeyANDWVJMDUVOXQV-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.23
Rot. Bonds4

About 2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol

2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol (PubChem CID 79902946) has the molecular formula C14H26O2S and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol
PubChem CID79902946
Molecular FormulaC14H26O2S
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol
SMILESCC(CO)CSC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H26O2S/c1-12(10-15)11-17-13-5-8-16-14(9-13)6-3-2-4-7-14/h12-13,15H,2-11H2,1H3
InChIKeyANDWVJMDUVOXQV-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate
CID 79905208
2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propan-1-amine
CID 79905930
2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79906009
1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79905784
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
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906005
3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636028
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911507

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol (CID 79902946) is 2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol is CC(CO)CSC1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol?
The InChIKey is ANDWVJMDUVOXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S/c1-12(10-15)11-17-13-5-8-16-14(9-13)6-3-2-4-7-14/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol?
2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol has a molecular weight of 258.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 79902946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).