(1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane

C15H24O — CID 102060536

IUPAC(1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane
SMILESC[C@@H]1CC[C@@H]2O[C@@]23CC[C@@H]2[C@@H](C2(C)C)[C@@]13C
InChIInChI=1S/C15H24O/c1-9-5-6-11-15(16-11)8-7-10-12(13(10,2)3)14(9,15)4/h9-12H,5-8H2,1-4H3/t9-,10-,11+,12+,14-,15+/m1/s1
InChIKeyUYPPHUAQDGUVKN-JVHLPBCQSA-N
MW220.36 g/mol
LogP3.63
Rot. Bonds

About (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane

(1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane (PubChem CID 102060536) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane.

Molecular Properties

Compound Name(1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane
PubChem CID102060536
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane
SMILESC[C@@H]1CC[C@@H]2O[C@@]23CC[C@@H]2[C@@H](C2(C)C)[C@@]13C
InChIInChI=1S/C15H24O/c1-9-5-6-11-15(16-11)8-7-10-12(13(10,2)3)14(9,15)4/h9-12H,5-8H2,1-4H3/t9-,10-,11+,12+,14-,15+/m1/s1
InChIKeyUYPPHUAQDGUVKN-JVHLPBCQSA-N
XLogP3.63
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane?
The IUPAC name of (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane (CID 102060536) is (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane.
What is the SMILES notation for (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane?
The canonical SMILES for (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane is C[C@@H]1CC[C@@H]2O[C@@]23CC[C@@H]2[C@@H](C2(C)C)[C@@]13C.
What is the InChIKey of (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane?
The InChIKey is UYPPHUAQDGUVKN-JVHLPBCQSA-N. The full InChI is InChI=1S/C15H24O/c1-9-5-6-11-15(16-11)8-7-10-12(13(10,2)3)14(9,15)4/h9-12H,5-8H2,1-4H3/t9-,10-,11+,12+,14-,15+/m1/s1.
What are the key properties of (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane?
(1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane has a molecular weight of 220.36 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane is sourced from PubChem (CID 102060536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).