(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane

C12H24O — CID 130441371

IUPAC(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
SMILESCC(C)[C@H]1O[C@@H](C(C)C)[C@H](C)[C@@H]1C
InChIInChI=1S/C12H24O/c1-7(2)11-9(5)10(6)12(13-11)8(3)4/h7-12H,1-6H3/t9-,10+,11+,12-
InChIKeyYLFXZAFXXPRRLO-IWDIQUIJSA-N
MW184.32 g/mol
LogP3.34
Rot. Bonds2

About (2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane

(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane (PubChem CID 130441371) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane.

Molecular Properties

Compound Name(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
PubChem CID130441371
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
SMILESCC(C)[C@H]1O[C@@H](C(C)C)[C@H](C)[C@@H]1C
InChIInChI=1S/C12H24O/c1-7(2)11-9(5)10(6)12(13-11)8(3)4/h7-12H,1-6H3/t9-,10+,11+,12-
InChIKeyYLFXZAFXXPRRLO-IWDIQUIJSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane?
The IUPAC name of (2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane (CID 130441371) is (2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane.
What is the SMILES notation for (2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane?
The canonical SMILES for (2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane is CC(C)[C@H]1O[C@@H](C(C)C)[C@H](C)[C@@H]1C.
What is the InChIKey of (2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane?
The InChIKey is YLFXZAFXXPRRLO-IWDIQUIJSA-N. The full InChI is InChI=1S/C12H24O/c1-7(2)11-9(5)10(6)12(13-11)8(3)4/h7-12H,1-6H3/t9-,10+,11+,12-.
What are the key properties of (2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane?
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane has a molecular weight of 184.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane is sourced from PubChem (CID 130441371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).