(7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol

C11H20OS — CID 115022115

IUPAC(7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1(C)CC2CSCC(C1)C2CO
InChIInChI=1S/C11H20OS/c1-11(2)3-8-6-13-7-9(4-11)10(8)5-12/h8-10,12H,3-7H2,1-2H3
InChIKeyBVAYHJOZIUWHBC-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.39
Rot. Bonds1

About (7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol

(7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol (PubChem CID 115022115) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol.

Molecular Properties

Compound Name(7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
PubChem CID115022115
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1(C)CC2CSCC(C1)C2CO
InChIInChI=1S/C11H20OS/c1-11(2)3-8-6-13-7-9(4-11)10(8)5-12/h8-10,12H,3-7H2,1-2H3
InChIKeyBVAYHJOZIUWHBC-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid
CID 115020768
(3,3-dimethylcyclohexyl)methanol
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(3aR,6aS)-5,5-dimethoxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]thiophene
CID 14310370
6-ethyl-3,3-dimethylbicyclo[3.2.1]octane
CID 123209192
8-bicyclo[3.2.1]octanylmethanol
CID 115011380
ethane;3-thiabicyclo[3.1.0]hexane
CID 144739840
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
[(1S)-3,3-dimethylcyclopentyl]methanol
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(3-methyl-9-bicyclo[3.3.1]nonanyl)methanol
CID 115013486

Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The IUPAC name of (7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol (CID 115022115) is (7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol.
What is the SMILES notation for (7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The canonical SMILES for (7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol is CC1(C)CC2CSCC(C1)C2CO.
What is the InChIKey of (7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The InChIKey is BVAYHJOZIUWHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-11(2)3-8-6-13-7-9(4-11)10(8)5-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of (7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
(7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol has a molecular weight of 200.35 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol is sourced from PubChem (CID 115022115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).