(6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C14H14O2 — CID 10703832

IUPAC(6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC[C@@H]1C(=O)C(c2ccccc2)=C2COC[C@H]21
InChIInChI=1S/C14H14O2/c1-9-11-7-16-8-12(11)13(14(9)15)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyQLVQRPPHHAEEAN-ONGXEEELSA-N
MW214.26 g/mol
LogP2.31
Rot. Bonds1

About (6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

(6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 10703832) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID10703832
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC[C@@H]1C(=O)C(c2ccccc2)=C2COC[C@H]21
InChIInChI=1S/C14H14O2/c1-9-11-7-16-8-12(11)13(14(9)15)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyQLVQRPPHHAEEAN-ONGXEEELSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of (6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 10703832) is (6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for (6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for (6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is C[C@@H]1C(=O)C(c2ccccc2)=C2COC[C@H]21.
What is the InChIKey of (6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is QLVQRPPHHAEEAN-ONGXEEELSA-N. The full InChI is InChI=1S/C14H14O2/c1-9-11-7-16-8-12(11)13(14(9)15)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of (6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
(6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 214.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 10703832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).