(3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane

C13H16O2 — CID 167192041

IUPAC(3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane
SMILESC=C1OC[C@H](C)[C@H]1OCc1ccccc1
InChIInChI=1S/C13H16O2/c1-10-8-14-11(2)13(10)15-9-12-6-4-3-5-7-12/h3-7,10,13H,2,8-9H2,1H3/t10-,13+/m0/s1
InChIKeyMOQBDBOWPMCCEP-GXFFZTMASA-N
MW204.27 g/mol
LogP2.75
Rot. Bonds3

About (3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane

(3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane (PubChem CID 167192041) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane.

Molecular Properties

Compound Name(3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane
PubChem CID167192041
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane
SMILESC=C1OC[C@H](C)[C@H]1OCc1ccccc1
InChIInChI=1S/C13H16O2/c1-10-8-14-11(2)13(10)15-9-12-6-4-3-5-7-12/h3-7,10,13H,2,8-9H2,1H3/t10-,13+/m0/s1
InChIKeyMOQBDBOWPMCCEP-GXFFZTMASA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R,5R)-3,5-dimethyl-4-phenylmethoxyoxan-2-one
CID 158721610
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
CID 158772730
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
(3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one
CID 146795417
(2R,3S,4R,5S)-5-ethyl-4-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-one
CID 90086841
6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane
CID 20751877
(3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxane-2-thione
CID 25034462
(3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 164662534
(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
CID 134527646

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane?
The IUPAC name of (3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane (CID 167192041) is (3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane.
What is the SMILES notation for (3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane?
The canonical SMILES for (3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane is C=C1OC[C@H](C)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane?
The InChIKey is MOQBDBOWPMCCEP-GXFFZTMASA-N. The full InChI is InChI=1S/C13H16O2/c1-10-8-14-11(2)13(10)15-9-12-6-4-3-5-7-12/h3-7,10,13H,2,8-9H2,1H3/t10-,13+/m0/s1.
What are the key properties of (3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane?
(3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane has a molecular weight of 204.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane is sourced from PubChem (CID 167192041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).