(1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one

C15H20O2 — CID 71614595

IUPAC(1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one
SMILESCC1=C2C(=O)[C@H](C)[C@H]3CO[C@@H]4CC[C@@H](CC1)[C@]234
InChIInChI=1S/C15H20O2/c1-8-3-4-10-5-6-12-15(10)11(7-17-12)9(2)14(16)13(8)15/h9-12H,3-7H2,1-2H3/t9-,10-,11-,12-,15+/m1/s1
InChIKeySLSWQTGCOBTFGN-LEQHPZHVSA-N
MW232.32 g/mol
LogP2.73
Rot. Bonds

About (1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one

(1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one (PubChem CID 71614595) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one.

Molecular Properties

Compound Name(1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one
PubChem CID71614595
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one
SMILESCC1=C2C(=O)[C@H](C)[C@H]3CO[C@@H]4CC[C@@H](CC1)[C@]234
InChIInChI=1S/C15H20O2/c1-8-3-4-10-5-6-12-15(10)11(7-17-12)9(2)14(16)13(8)15/h9-12H,3-7H2,1-2H3/t9-,10-,11-,12-,15+/m1/s1
InChIKeySLSWQTGCOBTFGN-LEQHPZHVSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one?
The IUPAC name of (1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one (CID 71614595) is (1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one.
What is the SMILES notation for (1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one?
The canonical SMILES for (1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one is CC1=C2C(=O)[C@H](C)[C@H]3CO[C@@H]4CC[C@@H](CC1)[C@]234.
What is the InChIKey of (1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one?
The InChIKey is SLSWQTGCOBTFGN-LEQHPZHVSA-N. The full InChI is InChI=1S/C15H20O2/c1-8-3-4-10-5-6-12-15(10)11(7-17-12)9(2)14(16)13(8)15/h9-12H,3-7H2,1-2H3/t9-,10-,11-,12-,15+/m1/s1.
What are the key properties of (1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one?
(1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one has a molecular weight of 232.32 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,8R,11R,14R)-2,5-dimethyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one is sourced from PubChem (CID 71614595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).