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

C17H30O2S — CID 79913693

IUPAC4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
SMILESCC1(C)CCCC(O)(C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C17H30O2S/c1-15(2)5-3-6-17(18,8-7-15)14-4-10-19-16(12-14)9-11-20-13-16/h14,18H,3-13H2,1-2H3
InChIKeyDFTGLHGGZBMOEQ-UHFFFAOYSA-N
MW298.49 g/mol
LogP4.01
Rot. Bonds1

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

4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol (PubChem CID 79913693) has the molecular formula C17H30O2S and a molecular weight of 298.49 g/mol. Its IUPAC name is 4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
PubChem CID79913693
Molecular FormulaC17H30O2S
Molecular Weight298.49 g/mol
Exact Mass298.20
IUPAC Name4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
SMILESCC1(C)CCCC(O)(C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C17H30O2S/c1-15(2)5-3-6-17(18,8-7-15)14-4-10-19-16(12-14)9-11-20-13-16/h14,18H,3-13H2,1-2H3
InChIKeyDFTGLHGGZBMOEQ-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79913687
4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
CID 103983033
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79900652
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 79906886
2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 79912378
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 114240710
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol
CID 79947103

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol (CID 79913693) is 4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol is CC1(C)CCCC(O)(C2CCOC3(CCSC3)C2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol?
The InChIKey is DFTGLHGGZBMOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2S/c1-15(2)5-3-6-17(18,8-7-15)14-4-10-19-16(12-14)9-11-20-13-16/h14,18H,3-13H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol?
4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol has a molecular weight of 298.49 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol is sourced from PubChem (CID 79913693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).