(2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one

C16H20O2 — CID 162399957

IUPAC(2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one
SMILESC[C@H]1CCC[C@@]2(C)C1=CC1C(=O)C2C2C=CC1O2
InChIInChI=1S/C16H20O2/c1-9-4-3-7-16(2)11(9)8-10-12-5-6-13(18-12)14(16)15(10)17/h5-6,8-10,12-14H,3-4,7H2,1-2H3/t9-,10?,12?,13?,14?,16-/m0/s1
InChIKeyRIBLDUYBXGJHDX-NAMWRFDZSA-N
MW244.33 g/mol
LogP2.89
Rot. Bonds

About (2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one

(2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one (PubChem CID 162399957) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one
PubChem CID162399957
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one
SMILESC[C@H]1CCC[C@@]2(C)C1=CC1C(=O)C2C2C=CC1O2
InChIInChI=1S/C16H20O2/c1-9-4-3-7-16(2)11(9)8-10-12-5-6-13(18-12)14(16)15(10)17/h5-6,8-10,12-14H,3-4,7H2,1-2H3/t9-,10?,12?,13?,14?,16-/m0/s1
InChIKeyRIBLDUYBXGJHDX-NAMWRFDZSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one?
The IUPAC name of (2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one (CID 162399957) is (2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one?
The canonical SMILES for (2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one is C[C@H]1CCC[C@@]2(C)C1=CC1C(=O)C2C2C=CC1O2.
What is the InChIKey of (2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one?
The InChIKey is RIBLDUYBXGJHDX-NAMWRFDZSA-N. The full InChI is InChI=1S/C16H20O2/c1-9-4-3-7-16(2)11(9)8-10-12-5-6-13(18-12)14(16)15(10)17/h5-6,8-10,12-14H,3-4,7H2,1-2H3/t9-,10?,12?,13?,14?,16-/m0/s1.
What are the key properties of (2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one?
(2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one has a molecular weight of 244.33 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-15-oxatetracyclo[7.4.1.110,13.02,7]pentadeca-7,11-dien-14-one is sourced from PubChem (CID 162399957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).