(1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene

C16H16O — CID 10751625

IUPAC(1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene
SMILESc1ccc2c(c1)[C@H]1O[C@@H]2[C@@H]2[C@H]1C[C@@]13CCC1[C@@H]23
InChIInChI=1S/C16H16O/c1-2-4-9-8(3-1)14-10-7-16-6-5-11(16)13(16)12(10)15(9)17-14/h1-4,10-15H,5-7H2/t10-,11?,12-,13+,14-,15+,16+/m1/s1
InChIKeyIURKRIWOIKSFCF-QCOYFGSJSA-N
MW224.30 g/mol
LogP3.47
Rot. Bonds

About (1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene

(1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene (PubChem CID 10751625) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene.

Molecular Properties

Compound Name(1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene
PubChem CID10751625
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene
SMILESc1ccc2c(c1)[C@H]1O[C@@H]2[C@@H]2[C@H]1C[C@@]13CCC1[C@@H]23
InChIInChI=1S/C16H16O/c1-2-4-9-8(3-1)14-10-7-16-6-5-11(16)13(16)12(10)15(9)17-14/h1-4,10-15H,5-7H2/t10-,11?,12-,13+,14-,15+,16+/m1/s1
InChIKeyIURKRIWOIKSFCF-QCOYFGSJSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene?
The IUPAC name of (1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene (CID 10751625) is (1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene.
What is the SMILES notation for (1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene?
The canonical SMILES for (1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene is c1ccc2c(c1)[C@H]1O[C@@H]2[C@@H]2[C@H]1C[C@@]13CCC1[C@@H]23.
What is the InChIKey of (1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene?
The InChIKey is IURKRIWOIKSFCF-QCOYFGSJSA-N. The full InChI is InChI=1S/C16H16O/c1-2-4-9-8(3-1)14-10-7-16-6-5-11(16)13(16)12(10)15(9)17-14/h1-4,10-15H,5-7H2/t10-,11?,12-,13+,14-,15+,16+/m1/s1.
What are the key properties of (1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene?
(1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene has a molecular weight of 224.30 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,7S,9R,10S)-17-oxahexacyclo[8.6.1.02,9.03,7.04,7.011,16]heptadeca-11,13,15-triene is sourced from PubChem (CID 10751625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).