2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol

C14H24O2S — CID 104656218

IUPAC2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24O2S/c1-3-4-6-13(2,15)12-5-8-16-14(10-12)7-9-17-11-14/h3,12,15H,1,4-11H2,2H3
InChIKeyYHFXEXRJVVPZOR-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.01
Rot. Bonds4

About 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol

2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol (PubChem CID 104656218) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol
PubChem CID104656218
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24O2S/c1-3-4-6-13(2,15)12-5-8-16-14(10-12)7-9-17-11-14/h3,12,15H,1,4-11H2,2H3
InChIKeyYHFXEXRJVVPZOR-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol
CID 113437950
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol
CID 79900359
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine
CID 81023417
1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79901777
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81014334
4-amino-4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 116571485
1-(4-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79907804
9-(4-bromobut-1-enyl)-6-oxa-2-thiaspiro[4.5]decane
CID 79909580
5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol
CID 103391340

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol?
The IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol (CID 104656218) is 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol.
What is the SMILES notation for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol?
The canonical SMILES for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol is C=CCCC(C)(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol?
The InChIKey is YHFXEXRJVVPZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c1-3-4-6-13(2,15)12-5-8-16-14(10-12)7-9-17-11-14/h3,12,15H,1,4-11H2,2H3.
What are the key properties of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol?
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol has a molecular weight of 256.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol is sourced from PubChem (CID 104656218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).