(5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane

C20H22O — CID 138980021

IUPAC(5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane
SMILESC[C@@]1(c2ccccc2)CCC(/C=C/c2ccccc2)OC1
InChIInChI=1S/C20H22O/c1-20(18-10-6-3-7-11-18)15-14-19(21-16-20)13-12-17-8-4-2-5-9-17/h2-13,19H,14-16H2,1H3/b13-12+/t19?,20-/m1/s1
InChIKeyRHISBWPUGMBQOY-IRPGRCOCSA-N
MW278.40 g/mol
LogP4.84
Rot. Bonds3

About (5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane

(5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane (PubChem CID 138980021) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is (5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane.

Molecular Properties

Compound Name(5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane
PubChem CID138980021
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name(5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane
SMILESC[C@@]1(c2ccccc2)CCC(/C=C/c2ccccc2)OC1
InChIInChI=1S/C20H22O/c1-20(18-10-6-3-7-11-18)15-14-19(21-16-20)13-12-17-8-4-2-5-9-17/h2-13,19H,14-16H2,1H3/b13-12+/t19?,20-/m1/s1
InChIKeyRHISBWPUGMBQOY-IRPGRCOCSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
(1S,4S)-1-methyl-4-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexane
CID 102095400
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 10451114
(2R)-2-(2-phenylethenyl)morpholine
CID 54208083
cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride
CID 173470709
4-[2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 68831952
4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 10451113
cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid
CID 7054115
(2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 93475595
2-[(4S,6R)-2,2-dimethyl-6-(2-phenylethenyl)-1,3-dioxan-4-yl]acetic acid
CID 54530252

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane?
The IUPAC name of (5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane (CID 138980021) is (5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane.
What is the SMILES notation for (5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane?
The canonical SMILES for (5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane is C[C@@]1(c2ccccc2)CCC(/C=C/c2ccccc2)OC1.
What is the InChIKey of (5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane?
The InChIKey is RHISBWPUGMBQOY-IRPGRCOCSA-N. The full InChI is InChI=1S/C20H22O/c1-20(18-10-6-3-7-11-18)15-14-19(21-16-20)13-12-17-8-4-2-5-9-17/h2-13,19H,14-16H2,1H3/b13-12+/t19?,20-/m1/s1.
What are the key properties of (5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane?
(5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane has a molecular weight of 278.40 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane is sourced from PubChem (CID 138980021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).