(3S,4S)-3,4-di(propan-2-yl)oxane

C11H22O — CID 121421969

IUPAC(3S,4S)-3,4-di(propan-2-yl)oxane
SMILESCC(C)[C@@H]1CCOC[C@H]1C(C)C
InChIInChI=1S/C11H22O/c1-8(2)10-5-6-12-7-11(10)9(3)4/h8-11H,5-7H2,1-4H3/t10-,11-/m0/s1
InChIKeyXVAQKZZOTXSYBG-QWRGUYRKSA-N
MW170.30 g/mol
LogP2.95
Rot. Bonds2

About (3S,4S)-3,4-di(propan-2-yl)oxane

(3S,4S)-3,4-di(propan-2-yl)oxane (PubChem CID 121421969) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (3S,4S)-3,4-di(propan-2-yl)oxane.

Molecular Properties

Compound Name(3S,4S)-3,4-di(propan-2-yl)oxane
PubChem CID121421969
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(3S,4S)-3,4-di(propan-2-yl)oxane
SMILESCC(C)[C@@H]1CCOC[C@H]1C(C)C
InChIInChI=1S/C11H22O/c1-8(2)10-5-6-12-7-11(10)9(3)4/h8-11H,5-7H2,1-4H3/t10-,11-/m0/s1
InChIKeyXVAQKZZOTXSYBG-QWRGUYRKSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-di(propan-2-yl)oxane?
The IUPAC name of (3S,4S)-3,4-di(propan-2-yl)oxane (CID 121421969) is (3S,4S)-3,4-di(propan-2-yl)oxane.
What is the SMILES notation for (3S,4S)-3,4-di(propan-2-yl)oxane?
The canonical SMILES for (3S,4S)-3,4-di(propan-2-yl)oxane is CC(C)[C@@H]1CCOC[C@H]1C(C)C.
What is the InChIKey of (3S,4S)-3,4-di(propan-2-yl)oxane?
The InChIKey is XVAQKZZOTXSYBG-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)10-5-6-12-7-11(10)9(3)4/h8-11H,5-7H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-3,4-di(propan-2-yl)oxane?
(3S,4S)-3,4-di(propan-2-yl)oxane has a molecular weight of 170.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-di(propan-2-yl)oxane is sourced from PubChem (CID 121421969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).