(4R)-3,3-dimethyl-4-phenylmethoxyoxolane

C13H18O2 — CID 68901005

IUPAC(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
SMILESCC1(C)COC[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-13(2)10-14-9-12(13)15-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyZBXZJZRYDXPTTG-LBPRGKRZSA-N
MW206.29 g/mol
LogP2.63
Rot. Bonds3

About (4R)-3,3-dimethyl-4-phenylmethoxyoxolane

(4R)-3,3-dimethyl-4-phenylmethoxyoxolane (PubChem CID 68901005) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (4R)-3,3-dimethyl-4-phenylmethoxyoxolane.

Molecular Properties

Compound Name(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
PubChem CID68901005
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
SMILESCC1(C)COC[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-13(2)10-14-9-12(13)15-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyZBXZJZRYDXPTTG-LBPRGKRZSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
CID 100970284
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylic acid
CID 67995569
(3R,4S)-3,7,7-trimethyl-4-phenylmethoxyoxepan-3-ol
CID 11311604
N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2S,3S)-1,5-dimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 101060938
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
methyl 3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-4-phenylmethoxyoxolane-3-carboxylate
CID 123762897

Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-dimethyl-4-phenylmethoxyoxolane?
The IUPAC name of (4R)-3,3-dimethyl-4-phenylmethoxyoxolane (CID 68901005) is (4R)-3,3-dimethyl-4-phenylmethoxyoxolane.
What is the SMILES notation for (4R)-3,3-dimethyl-4-phenylmethoxyoxolane?
The canonical SMILES for (4R)-3,3-dimethyl-4-phenylmethoxyoxolane is CC1(C)COC[C@@H]1OCc1ccccc1.
What is the InChIKey of (4R)-3,3-dimethyl-4-phenylmethoxyoxolane?
The InChIKey is ZBXZJZRYDXPTTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)10-14-9-12(13)15-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (4R)-3,3-dimethyl-4-phenylmethoxyoxolane?
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane has a molecular weight of 206.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-dimethyl-4-phenylmethoxyoxolane is sourced from PubChem (CID 68901005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).