(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene

C33H42O2 — CID 161213677

IUPAC(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
SMILESC=C1CC(C)(C)C2=C1C1C=C[C@]3(CCC[C@H]3C2)O1.C=C1C[C@H](C)C2=C1C1C=C[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C17H22O.C16H20O/c1-11-10-16(2,3)13-9-12-5-4-7-17(12)8-6-14(18-17)15(11)13;1-10-8-11(2)15-13(10)9-12-4-3-6-16(12)7-5-14(15)17-16/h6,8,12,14H,1,4-5,7,9-10H2,2-3H3;5,7,10,12,14H,2-4,6,8-9H2,1H3/t12-,14?,17-;10-,12-,14?,16-/m00/s1
InChIKeyUWOOQELILIMGJE-KJRDLOOQSA-N
MW470.70 g/mol
LogP7.94
Rot. Bonds

About (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene

(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene (PubChem CID 161213677) has the molecular formula C33H42O2 and a molecular weight of 470.70 g/mol. Its IUPAC name is (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene.

Molecular Properties

Compound Name(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
PubChem CID161213677
Molecular FormulaC33H42O2
Molecular Weight470.70 g/mol
Exact Mass470.32
IUPAC Name(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
SMILESC=C1CC(C)(C)C2=C1C1C=C[C@]3(CCC[C@H]3C2)O1.C=C1C[C@H](C)C2=C1C1C=C[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C17H22O.C16H20O/c1-11-10-16(2,3)13-9-12-5-4-7-17(12)8-6-14(18-17)15(11)13;1-10-8-11(2)15-13(10)9-12-4-3-6-16(12)7-5-14(15)17-16/h6,8,12,14H,1,4-5,7,9-10H2,2-3H3;5,7,10,12,14H,2-4,6,8-9H2,1H3/t12-,14?,17-;10-,12-,14?,16-/m00/s1
InChIKeyUWOOQELILIMGJE-KJRDLOOQSA-N
XLogP7.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene with MolForge

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Related Compounds

(1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
CID 140937731
(1R,5S,7R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
CID 140937744
(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 161213678
(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 161213679

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The IUPAC name of (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene (CID 161213677) is (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene.
What is the SMILES notation for (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The canonical SMILES for (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene is C=C1CC(C)(C)C2=C1C1C=C[C@]3(CCC[C@H]3C2)O1.C=C1C[C@H](C)C2=C1C1C=C[C@]3(CCC[C@H]3C2)O1.
What is the InChIKey of (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The InChIKey is UWOOQELILIMGJE-KJRDLOOQSA-N. The full InChI is InChI=1S/C17H22O.C16H20O/c1-11-10-16(2,3)13-9-12-5-4-7-17(12)8-6-14(18-17)15(11)13;1-10-8-11(2)15-13(10)9-12-4-3-6-16(12)7-5-14(15)17-16/h6,8,12,14H,1,4-5,7,9-10H2,2-3H3;5,7,10,12,14H,2-4,6,8-9H2,1H3/t12-,14?,17-;10-,12-,14?,16-/m00/s1.
What are the key properties of (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene has a molecular weight of 470.70 g/mol, XLogP of 7.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene is sourced from PubChem (CID 161213677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).