2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol

C15H26O2S — CID 113437950

IUPAC2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H26O2S/c1-3-4-6-14(2,16)13-5-9-17-15(12-13)7-10-18-11-8-15/h3,13,16H,1,4-12H2,2H3
InChIKeyVDZZFQCFDNLQPS-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.40
Rot. Bonds4

About 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol

2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol (PubChem CID 113437950) has the molecular formula C15H26O2S and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol
PubChem CID113437950
Molecular FormulaC15H26O2S
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H26O2S/c1-3-4-6-14(2,16)13-5-9-17-15(12-13)7-10-18-11-8-15/h3,13,16H,1,4-12H2,2H3
InChIKeyVDZZFQCFDNLQPS-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.40
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-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol
CID 104656218
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81014334
5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol
CID 103391340
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylbutan-1-amine
CID 81023004
4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane
CID 115410369
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol
CID 79900359
2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 79909298
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 113490241
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
CID 79907956
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine
CID 81023417
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol?
The IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol (CID 113437950) is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol.
What is the SMILES notation for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol?
The canonical SMILES for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol is C=CCCC(C)(O)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol?
The InChIKey is VDZZFQCFDNLQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S/c1-3-4-6-14(2,16)13-5-9-17-15(12-13)7-10-18-11-8-15/h3,13,16H,1,4-12H2,2H3.
What are the key properties of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol?
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol has a molecular weight of 270.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol is sourced from PubChem (CID 113437950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).