(1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane

C15H24O — CID 10242596

IUPAC(1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane
SMILESC=C1C[C@H]2O[C@@]3(CC[C@@H](C)[C@@H]3CC2(C)C)C1
InChIInChI=1S/C15H24O/c1-10-7-13-14(3,4)9-12-11(2)5-6-15(12,8-10)16-13/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m1/s1
InChIKeyHCCXWLAUTGUVHK-COMQUAJESA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds

About (1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane

(1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane (PubChem CID 10242596) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane.

Molecular Properties

Compound Name(1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane
PubChem CID10242596
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane
SMILESC=C1C[C@H]2O[C@@]3(CC[C@@H](C)[C@@H]3CC2(C)C)C1
InChIInChI=1S/C15H24O/c1-10-7-13-14(3,4)9-12-11(2)5-6-15(12,8-10)16-13/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m1/s1
InChIKeyHCCXWLAUTGUVHK-COMQUAJESA-N
XLogP3.94
TPSA9.23 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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane?
The IUPAC name of (1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane (CID 10242596) is (1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane.
What is the SMILES notation for (1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane?
The canonical SMILES for (1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane is C=C1C[C@H]2O[C@@]3(CC[C@@H](C)[C@@H]3CC2(C)C)C1.
What is the InChIKey of (1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane?
The InChIKey is HCCXWLAUTGUVHK-COMQUAJESA-N. The full InChI is InChI=1S/C15H24O/c1-10-7-13-14(3,4)9-12-11(2)5-6-15(12,8-10)16-13/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m1/s1.
What are the key properties of (1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane?
(1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane has a molecular weight of 220.36 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane is sourced from PubChem (CID 10242596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).