(5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane

C14H18O — CID 171904735

IUPAC(5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane
SMILESCC1(C)OC[C@@H]2C1C[C@H]2c1ccccc1
InChIInChI=1S/C14H18O/c1-14(2)13-8-11(12(13)9-15-14)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3/t11-,12-,13?/m0/s1
InChIKeyYMPHUWUYWLXTNR-VYAYZGMFSA-N
MW202.30 g/mol
LogP3.22
Rot. Bonds1

About (5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane

(5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane (PubChem CID 171904735) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane
PubChem CID171904735
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane
SMILESCC1(C)OC[C@@H]2C1C[C@H]2c1ccccc1
InChIInChI=1S/C14H18O/c1-14(2)13-8-11(12(13)9-15-14)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3/t11-,12-,13?/m0/s1
InChIKeyYMPHUWUYWLXTNR-VYAYZGMFSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane?
The IUPAC name of (5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane (CID 171904735) is (5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane.
What is the SMILES notation for (5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane?
The canonical SMILES for (5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane is CC1(C)OC[C@@H]2C1C[C@H]2c1ccccc1.
What is the InChIKey of (5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane?
The InChIKey is YMPHUWUYWLXTNR-VYAYZGMFSA-N. The full InChI is InChI=1S/C14H18O/c1-14(2)13-8-11(12(13)9-15-14)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3/t11-,12-,13?/m0/s1.
What are the key properties of (5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane?
(5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane has a molecular weight of 202.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane is sourced from PubChem (CID 171904735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).