(1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol

C10H18O2 — CID 10487362

IUPAC(1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol
SMILESCC1CC[C@@]2(O)CCC[C@]1(C)O2
InChIInChI=1S/C10H18O2/c1-8-4-7-10(11)6-3-5-9(8,2)12-10/h8,11H,3-7H2,1-2H3/t8?,9-,10+/m0/s1
InChIKeyYJVFGUMBCZGNTP-CBMCFHRWSA-N
MW170.25 g/mol
LogP2.06
Rot. Bonds

About (1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol

(1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol (PubChem CID 10487362) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol.

Molecular Properties

Compound Name(1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol
PubChem CID10487362
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol
SMILESCC1CC[C@@]2(O)CCC[C@]1(C)O2
InChIInChI=1S/C10H18O2/c1-8-4-7-10(11)6-3-5-9(8,2)12-10/h8,11H,3-7H2,1-2H3/t8?,9-,10+/m0/s1
InChIKeyYJVFGUMBCZGNTP-CBMCFHRWSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol?
The IUPAC name of (1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol (CID 10487362) is (1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol.
What is the SMILES notation for (1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol?
The canonical SMILES for (1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol is CC1CC[C@@]2(O)CCC[C@]1(C)O2.
What is the InChIKey of (1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol?
The InChIKey is YJVFGUMBCZGNTP-CBMCFHRWSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-4-7-10(11)6-3-5-9(8,2)12-10/h8,11H,3-7H2,1-2H3/t8?,9-,10+/m0/s1.
What are the key properties of (1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol?
(1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-4,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol is sourced from PubChem (CID 10487362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).