(2S)-2-tert-butyloxane

C9H18O — CID 118633229

IUPAC(2S)-2-tert-butyloxane
SMILESCC(C)(C)[C@@H]1CCCCO1
InChIInChI=1S/C9H18O/c1-9(2,3)8-6-4-5-7-10-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeySFYGKDASLDASAS-QMMMGPOBSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds

About (2S)-2-tert-butyloxane

(2S)-2-tert-butyloxane (PubChem CID 118633229) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2S)-2-tert-butyloxane.

Molecular Properties

Compound Name(2S)-2-tert-butyloxane
PubChem CID118633229
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2S)-2-tert-butyloxane
SMILESCC(C)(C)[C@@H]1CCCCO1
InChIInChI=1S/C9H18O/c1-9(2,3)8-6-4-5-7-10-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeySFYGKDASLDASAS-QMMMGPOBSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane
CID 157181947
2-methyl-2-[(2R)-oxan-2-yl]propanenitrile
CID 124670962
tert-butylcyclopentane;2-tert-butyloxolane;methylcyclohexane;2-methyloxane;4-methyloxane
CID 167645227
1-amino-2-(oxan-2-yl)propan-2-ol
CID 139026645
2-[(3S)-2,3-dimethylpent-4-yn-2-yl]oxane
CID 102047896
2-tert-butyl-3-methyloxepane
CID 121477234
2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol
CID 551403
1-(oxan-2-yl)-1-phenylethanol
CID 102596007
2-methyl-2-(oxan-2-yl)propane-1-sulfinamide
CID 165459159
1-(1-chloroethoxy)-1-(oxan-2-yl)ethanol
CID 20523019
O-[2-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104720
1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
CID 89068349

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyloxane?
The IUPAC name of (2S)-2-tert-butyloxane (CID 118633229) is (2S)-2-tert-butyloxane.
What is the SMILES notation for (2S)-2-tert-butyloxane?
The canonical SMILES for (2S)-2-tert-butyloxane is CC(C)(C)[C@@H]1CCCCO1.
What is the InChIKey of (2S)-2-tert-butyloxane?
The InChIKey is SFYGKDASLDASAS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18O/c1-9(2,3)8-6-4-5-7-10-8/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-tert-butyloxane?
(2S)-2-tert-butyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyloxane is sourced from PubChem (CID 118633229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).