(1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane

C12H20O — CID 23327517

IUPAC(1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane
SMILESCC1C[C@H]2CC[C@H]3CCC[C@@]3(C1)O2
InChIInChI=1S/C12H20O/c1-9-7-11-5-4-10-3-2-6-12(10,8-9)13-11/h9-11H,2-8H2,1H3/t9?,10-,11-,12+/m1/s1
InChIKeyKCXXJHOYURZMHN-RDFFEMEHSA-N
MW180.29 g/mol
LogP3.13
Rot. Bonds

About (1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane

(1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane (PubChem CID 23327517) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane.

Molecular Properties

Compound Name(1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane
PubChem CID23327517
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane
SMILESCC1C[C@H]2CC[C@H]3CCC[C@@]3(C1)O2
InChIInChI=1S/C12H20O/c1-9-7-11-5-4-10-3-2-6-12(10,8-9)13-11/h9-11H,2-8H2,1H3/t9?,10-,11-,12+/m1/s1
InChIKeyKCXXJHOYURZMHN-RDFFEMEHSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane?
The IUPAC name of (1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane (CID 23327517) is (1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane.
What is the SMILES notation for (1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane?
The canonical SMILES for (1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane is CC1C[C@H]2CC[C@H]3CCC[C@@]3(C1)O2.
What is the InChIKey of (1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane?
The InChIKey is KCXXJHOYURZMHN-RDFFEMEHSA-N. The full InChI is InChI=1S/C12H20O/c1-9-7-11-5-4-10-3-2-6-12(10,8-9)13-11/h9-11H,2-8H2,1H3/t9?,10-,11-,12+/m1/s1.
What are the key properties of (1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane?
(1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane has a molecular weight of 180.29 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane is sourced from PubChem (CID 23327517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).