(3S)-3-(2,2-dimethylpropyl)oxolane

C9H18O — CID 139100718

IUPAC(3S)-3-(2,2-dimethylpropyl)oxolane
SMILESCC(C)(C)C[C@H]1CCOC1
InChIInChI=1S/C9H18O/c1-9(2,3)6-8-4-5-10-7-8/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeySHJDMEZWNQRZGT-MRVPVSSYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

About (3S)-3-(2,2-dimethylpropyl)oxolane

(3S)-3-(2,2-dimethylpropyl)oxolane (PubChem CID 139100718) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3S)-3-(2,2-dimethylpropyl)oxolane.

Molecular Properties

Compound Name(3S)-3-(2,2-dimethylpropyl)oxolane
PubChem CID139100718
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3S)-3-(2,2-dimethylpropyl)oxolane
SMILESCC(C)(C)C[C@H]1CCOC1
InChIInChI=1S/C9H18O/c1-9(2,3)6-8-4-5-10-7-8/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeySHJDMEZWNQRZGT-MRVPVSSYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(oxolan-3-ylmethyl)pentan-3-ol
CID 14783553
3-ethyloxolane
CID 10996972
3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane
CID 167076671
butane;3-ethyloxolane
CID 143075797
2-[1-amino-2-methyl-3-(oxolan-3-yl)propan-2-yl]oxyethanol
CID 165493847
2,2-difluoro-3-(oxolan-3-yl)propanoic acid
CID 105438514
N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 58297160
3-(bromomethyl)oxolane
CID 14173422
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
3-(3-bromo-4,4-dimethylpentyl)oxolane
CID 64509457
(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine
CID 168851954
ethane;3-(methoxymethyl)oxolane
CID 143285946

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2-dimethylpropyl)oxolane?
The IUPAC name of (3S)-3-(2,2-dimethylpropyl)oxolane (CID 139100718) is (3S)-3-(2,2-dimethylpropyl)oxolane.
What is the SMILES notation for (3S)-3-(2,2-dimethylpropyl)oxolane?
The canonical SMILES for (3S)-3-(2,2-dimethylpropyl)oxolane is CC(C)(C)C[C@H]1CCOC1.
What is the InChIKey of (3S)-3-(2,2-dimethylpropyl)oxolane?
The InChIKey is SHJDMEZWNQRZGT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O/c1-9(2,3)6-8-4-5-10-7-8/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (3S)-3-(2,2-dimethylpropyl)oxolane?
(3S)-3-(2,2-dimethylpropyl)oxolane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2-dimethylpropyl)oxolane is sourced from PubChem (CID 139100718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).