(1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene

C15H20O — CID 91752521

IUPAC(1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene
SMILESC=C1COC=C2C(C)=CC[C@@H]3[C@H]([C@H]12)C3(C)C
InChIInChI=1S/C15H20O/c1-9-5-6-12-14(15(12,3)4)13-10(2)7-16-8-11(9)13/h5,8,12-14H,2,6-7H2,1,3-4H3/t12-,13-,14-/m1/s1
InChIKeyMPCQKDYYHFZZAW-MGPQQGTHSA-N
MW216.32 g/mol
LogP3.70
Rot. Bonds

About (1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene

(1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene (PubChem CID 91752521) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene.

Molecular Properties

Compound Name(1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene
PubChem CID91752521
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene
SMILESC=C1COC=C2C(C)=CC[C@@H]3[C@H]([C@H]12)C3(C)C
InChIInChI=1S/C15H20O/c1-9-5-6-12-14(15(12,3)4)13-10(2)7-16-8-11(9)13/h5,8,12-14H,2,6-7H2,1,3-4H3/t12-,13-,14-/m1/s1
InChIKeyMPCQKDYYHFZZAW-MGPQQGTHSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.70
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 (1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene?
The IUPAC name of (1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene (CID 91752521) is (1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene.
What is the SMILES notation for (1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene?
The canonical SMILES for (1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene is C=C1COC=C2C(C)=CC[C@@H]3[C@H]([C@H]12)C3(C)C.
What is the InChIKey of (1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene?
The InChIKey is MPCQKDYYHFZZAW-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H20O/c1-9-5-6-12-14(15(12,3)4)13-10(2)7-16-8-11(9)13/h5,8,12-14H,2,6-7H2,1,3-4H3/t12-,13-,14-/m1/s1.
What are the key properties of (1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene?
(1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene has a molecular weight of 216.32 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene is sourced from PubChem (CID 91752521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).