(1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane

C10H16O — CID 155589435

IUPAC(1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane
SMILESC[C@H]1[C@H]2C[C@H]3C[C@@H]1O[C@@]3(C)C2
InChIInChI=1S/C10H16O/c1-6-7-3-8-4-9(6)11-10(8,2)5-7/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9-,10-/m0/s1
InChIKeyAXXSWNALEQUMQT-WYCDGMCDSA-N
MW152.24 g/mol
LogP2.21
Rot. Bonds

About (1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane

(1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane (PubChem CID 155589435) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane.

Molecular Properties

Compound Name(1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane
PubChem CID155589435
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane
SMILESC[C@H]1[C@H]2C[C@H]3C[C@@H]1O[C@@]3(C)C2
InChIInChI=1S/C10H16O/c1-6-7-3-8-4-9(6)11-10(8,2)5-7/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9-,10-/m0/s1
InChIKeyAXXSWNALEQUMQT-WYCDGMCDSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane?
The IUPAC name of (1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane (CID 155589435) is (1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane.
What is the SMILES notation for (1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane?
The canonical SMILES for (1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane is C[C@H]1[C@H]2C[C@H]3C[C@@H]1O[C@@]3(C)C2.
What is the InChIKey of (1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane?
The InChIKey is AXXSWNALEQUMQT-WYCDGMCDSA-N. The full InChI is InChI=1S/C10H16O/c1-6-7-3-8-4-9(6)11-10(8,2)5-7/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9-,10-/m0/s1.
What are the key properties of (1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane?
(1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane has a molecular weight of 152.24 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane is sourced from PubChem (CID 155589435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).