(3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane

C18H26O — CID 59638532

IUPAC(3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane
SMILESCCC1(CC)O[C@@H](C)[C@@H](/C=C/c2ccccc2)[C@H]1C
InChIInChI=1S/C18H26O/c1-5-18(6-2)14(3)17(15(4)19-18)13-12-16-10-8-7-9-11-16/h7-15,17H,5-6H2,1-4H3/b13-12+/t14-,15+,17+/m1/s1
InChIKeyJEWTYDNLDMJHKX-QOFQEFQBSA-N
MW258.41 g/mol
LogP4.93
Rot. Bonds4

About (3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane

(3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane (PubChem CID 59638532) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is (3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane.

Molecular Properties

Compound Name(3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane
PubChem CID59638532
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Name(3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane
SMILESCCC1(CC)O[C@@H](C)[C@@H](/C=C/c2ccccc2)[C@H]1C
InChIInChI=1S/C18H26O/c1-5-18(6-2)14(3)17(15(4)19-18)13-12-16-10-8-7-9-11-16/h7-15,17H,5-6H2,1-4H3/b13-12+/t14-,15+,17+/m1/s1
InChIKeyJEWTYDNLDMJHKX-QOFQEFQBSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane with MolForge

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Related Compounds

(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane
CID 11673198
2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol
CID 134967979
2-[(4S,6R)-2,2-dimethyl-6-(2-phenylethenyl)-1,3-dioxan-4-yl]acetic acid
CID 54530252
[(E)-2-[(1R,2R)-2-methyl-2-propylcyclopropyl]ethenyl]benzene
CID 10821924
(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 130359473
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
benzene;but-1-enylbenzene
CID 157481332
4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 6017272
N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 11112476
cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate
CID 15348856
[(E)-3-[[(E)-3-phenylprop-2-enyl]diselanyl]prop-1-enyl]benzene
CID 132528237
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane?
The IUPAC name of (3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane (CID 59638532) is (3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane.
What is the SMILES notation for (3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane?
The canonical SMILES for (3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane is CCC1(CC)O[C@@H](C)[C@@H](/C=C/c2ccccc2)[C@H]1C.
What is the InChIKey of (3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane?
The InChIKey is JEWTYDNLDMJHKX-QOFQEFQBSA-N. The full InChI is InChI=1S/C18H26O/c1-5-18(6-2)14(3)17(15(4)19-18)13-12-16-10-8-7-9-11-16/h7-15,17H,5-6H2,1-4H3/b13-12+/t14-,15+,17+/m1/s1.
What are the key properties of (3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane?
(3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane has a molecular weight of 258.41 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane is sourced from PubChem (CID 59638532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).