(1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one

C15H20O2 — CID 54671720

IUPAC(1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one
SMILESC[C@@H]1[C@H]2CC[C@H](C)[C@@H]3CC=C4C(=O)O[C@H]1[C@@H]4[C@H]23
InChIInChI=1S/C15H20O2/c1-7-3-4-10-8(2)14-13-11(15(16)17-14)6-5-9(7)12(10)13/h6-10,12-14H,3-5H2,1-2H3/t7-,8+,9-,10+,12-,13-,14+/m0/s1
InChIKeyBFNUVKSKPNBQRT-IGLSZRPSSA-N
MW232.32 g/mol
LogP2.79
Rot. Bonds

About (1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one

(1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one (PubChem CID 54671720) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one.

Molecular Properties

Compound Name(1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one
PubChem CID54671720
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one
SMILESC[C@@H]1[C@H]2CC[C@H](C)[C@@H]3CC=C4C(=O)O[C@H]1[C@@H]4[C@H]23
InChIInChI=1S/C15H20O2/c1-7-3-4-10-8(2)14-13-11(15(16)17-14)6-5-9(7)12(10)13/h6-10,12-14H,3-5H2,1-2H3/t7-,8+,9-,10+,12-,13-,14+/m0/s1
InChIKeyBFNUVKSKPNBQRT-IGLSZRPSSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one?
The IUPAC name of (1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one (CID 54671720) is (1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one.
What is the SMILES notation for (1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one?
The canonical SMILES for (1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one is C[C@@H]1[C@H]2CC[C@H](C)[C@@H]3CC=C4C(=O)O[C@H]1[C@@H]4[C@H]23.
What is the InChIKey of (1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one?
The InChIKey is BFNUVKSKPNBQRT-IGLSZRPSSA-N. The full InChI is InChI=1S/C15H20O2/c1-7-3-4-10-8(2)14-13-11(15(16)17-14)6-5-9(7)12(10)13/h6-10,12-14H,3-5H2,1-2H3/t7-,8+,9-,10+,12-,13-,14+/m0/s1.
What are the key properties of (1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one?
(1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one has a molecular weight of 232.32 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S,8S,11S,12S,13R,14R)-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one is sourced from PubChem (CID 54671720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).