(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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Related Compounds

2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane
CID 175208692
CID 102445902
CID 102445902
6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 73299099
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
(1S,2S,4S,5R)-10,10-dimethyl-4-phenyl-9-oxa-7-azatricyclo[5.3.0.02,5]decan-8-one
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CID 116540499
[(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene
CID 134846677
[2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene
CID 116518517
2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol
CID 106663667
(8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 7348524
(2S)-2,5-dimethyl-3-phenyloxolane
CID 59883452
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346

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).