(7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol

C10H18O2 — CID 115013757

IUPAC(7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1CC2COCC(C1)C2CO
InChIInChI=1S/C10H18O2/c1-7-2-8-5-12-6-9(3-7)10(8)4-11/h7-11H,2-6H2,1H3
InChIKeyGOTLVZRIJQRAGP-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.29
Rot. Bonds1

About (7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol

(7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol (PubChem CID 115013757) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol.

Molecular Properties

Compound Name(7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol
PubChem CID115013757
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1CC2COCC(C1)C2CO
InChIInChI=1S/C10H18O2/c1-7-2-8-5-12-6-9(3-7)10(8)4-11/h7-11H,2-6H2,1H3
InChIKeyGOTLVZRIJQRAGP-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-9-bicyclo[3.3.1]nonanyl)methanol
CID 115013486
5-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran;propane
CID 164925413
(3aS,7aR)-5-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 167189775
[(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol
CID 130891139
(4-methyloxolan-3-yl)methanol
CID 53402099
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
(3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol
CID 130142594
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
3-methyloxetane;oxetan-3-ol
CID 159981362
9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol
CID 115013879
2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid
CID 115016227
[(4S)-4,6-dimethyloxan-2-yl]methanol
CID 59821303

Frequently Asked Questions

What is the IUPAC name of (7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol?
The IUPAC name of (7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol (CID 115013757) is (7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol.
What is the SMILES notation for (7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol?
The canonical SMILES for (7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol is CC1CC2COCC(C1)C2CO.
What is the InChIKey of (7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol?
The InChIKey is GOTLVZRIJQRAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-2-8-5-12-6-9(3-7)10(8)4-11/h7-11H,2-6H2,1H3.
What are the key properties of (7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol?
(7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol has a molecular weight of 170.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol is sourced from PubChem (CID 115013757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).