(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane

C13H18O2 — CID 141293396

IUPAC(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
SMILESCC1(C)CC[C@@H](COc2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-13(2)9-8-12(15-13)10-14-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1
InChIKeySYVRGIRCNRIRHE-LBPRGKRZSA-N
MW206.28 g/mol
LogP3.02
Rot. Bonds3

About (5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane

(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane (PubChem CID 141293396) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
PubChem CID141293396
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
SMILESCC1(C)CC[C@@H](COc2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-13(2)9-8-12(15-13)10-14-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1
InChIKeySYVRGIRCNRIRHE-LBPRGKRZSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 116520718
3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde
CID 116521944
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-1-ol
CID 104889581
[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide
CID 116522447
N-[[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 116520720
2-[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanol
CID 107713050
[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine
CID 116520606
5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
CID 116522378
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane?
The IUPAC name of (5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane (CID 141293396) is (5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane.
What is the SMILES notation for (5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane?
The canonical SMILES for (5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane is CC1(C)CC[C@@H](COc2ccccc2)O1.
What is the InChIKey of (5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane?
The InChIKey is SYVRGIRCNRIRHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)9-8-12(15-13)10-14-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane?
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane has a molecular weight of 206.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane is sourced from PubChem (CID 141293396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).