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

C17H30O2S — CID 79900333

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C17H30O2S/c1-2-3-14-4-7-17(18,8-5-14)15-6-10-19-16(12-15)9-11-20-13-16/h14-15,18H,2-13H2,1H3
InChIKeyFUCGOMXLYQZJLH-UHFFFAOYSA-N
MW298.49 g/mol
LogP4.01
Rot. Bonds3

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

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol (PubChem CID 79900333) has the molecular formula C17H30O2S and a molecular weight of 298.49 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
PubChem CID79900333
Molecular FormulaC17H30O2S
Molecular Weight298.49 g/mol
Exact Mass298.20
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C17H30O2S/c1-2-3-14-4-7-17(18,8-5-14)15-6-10-19-16(12-15)9-11-20-13-16/h14-15,18H,2-13H2,1H3
InChIKeyFUCGOMXLYQZJLH-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79898552
CID 79898552
CID 79898561
CID 79898561
CID 79898832
CID 79898832
CID 79898833
CID 79898833
CID 79898838
CID 79898838
CID 79898846
CID 79898846
CID 79899140
CID 79899140
CID 79899736
CID 79899736

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol (CID 79900333) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)(C2CCOC3(CCSC3)C2)CC1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol?
The InChIKey is FUCGOMXLYQZJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2S/c1-2-3-14-4-7-17(18,8-5-14)15-6-10-19-16(12-15)9-11-20-13-16/h14-15,18H,2-13H2,1H3.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol has a molecular weight of 298.49 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 79900333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).