(1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene

C14H14O2 — CID 124921984

IUPAC(1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
SMILESc1c2c(cc3c1[C@H]1CC[C@H]3O1)[C@H]1CC[C@H]2O1
InChIInChI=1S/C14H14O2/c1-2-12-8-6-10-9(5-7(8)11(1)15-12)13-3-4-14(10)16-13/h5-6,11-14H,1-4H2/t11-,12-,13-,14-/m1/s1
InChIKeyVTFDVQAKALSSMI-AAVRWANBSA-N
MW214.26 g/mol
LogP3.50
Rot. Bonds

About (1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene

(1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene (PubChem CID 124921984) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene.

Molecular Properties

Compound Name(1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
PubChem CID124921984
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
SMILESc1c2c(cc3c1[C@H]1CC[C@H]3O1)[C@H]1CC[C@H]2O1
InChIInChI=1S/C14H14O2/c1-2-12-8-6-10-9(5-7(8)11(1)15-12)13-3-4-14(10)16-13/h5-6,11-14H,1-4H2/t11-,12-,13-,14-/m1/s1
InChIKeyVTFDVQAKALSSMI-AAVRWANBSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene?
The IUPAC name of (1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene (CID 124921984) is (1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene.
What is the SMILES notation for (1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene?
The canonical SMILES for (1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene is c1c2c(cc3c1[C@H]1CC[C@H]3O1)[C@H]1CC[C@H]2O1.
What is the InChIKey of (1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene?
The InChIKey is VTFDVQAKALSSMI-AAVRWANBSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-12-8-6-10-9(5-7(8)11(1)15-12)13-3-4-14(10)16-13/h5-6,11-14H,1-4H2/t11-,12-,13-,14-/m1/s1.
What are the key properties of (1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene?
(1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene has a molecular weight of 214.26 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene is sourced from PubChem (CID 124921984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).