(2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol

C12H24O2 — CID 10512245

IUPAC(2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol
SMILESCC(C)C[C@@]1(O)OC(C)(C)CC[C@@H]1C
InChIInChI=1S/C12H24O2/c1-9(2)8-12(13)10(3)6-7-11(4,5)14-12/h9-10,13H,6-8H2,1-5H3/t10-,12+/m0/s1
InChIKeyLRNPLXCHLVNCNX-CMPLNLGQSA-N
MW200.32 g/mol
LogP2.95
Rot. Bonds2

About (2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol

(2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol (PubChem CID 10512245) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol
PubChem CID10512245
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol
SMILESCC(C)C[C@@]1(O)OC(C)(C)CC[C@@H]1C
InChIInChI=1S/C12H24O2/c1-9(2)8-12(13)10(3)6-7-11(4,5)14-12/h9-10,13H,6-8H2,1-5H3/t10-,12+/m0/s1
InChIKeyLRNPLXCHLVNCNX-CMPLNLGQSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol?
The IUPAC name of (2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol (CID 10512245) is (2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol.
What is the SMILES notation for (2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol?
The canonical SMILES for (2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol is CC(C)C[C@@]1(O)OC(C)(C)CC[C@@H]1C.
What is the InChIKey of (2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol?
The InChIKey is LRNPLXCHLVNCNX-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)8-12(13)10(3)6-7-11(4,5)14-12/h9-10,13H,6-8H2,1-5H3/t10-,12+/m0/s1.
What are the key properties of (2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol?
(2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol has a molecular weight of 200.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3,6,6-trimethyl-2-(2-methylpropyl)oxan-2-ol is sourced from PubChem (CID 10512245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).