1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol

C16H30O4 — CID 134830629

IUPAC1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol
SMILESCCC(O)[C@@]1(C)CC[C@@H]([C@]2(C)CC[C@H](C(C)(C)O)O2)O1
InChIInChI=1S/C16H30O4/c1-6-11(17)15(4)9-8-13(20-15)16(5)10-7-12(19-16)14(2,3)18/h11-13,17-18H,6-10H2,1-5H3/t11?,12-,13+,15-,16+/m1/s1
InChIKeyWIXGKDDTCMCDIO-LEXRCEIVSA-N
MW286.41 g/mol
LogP2.40
Rot. Bonds4

About 1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol

1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol (PubChem CID 134830629) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol
PubChem CID134830629
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol
SMILESCCC(O)[C@@]1(C)CC[C@@H]([C@]2(C)CC[C@H](C(C)(C)O)O2)O1
InChIInChI=1S/C16H30O4/c1-6-11(17)15(4)9-8-13(20-15)16(5)10-7-12(19-16)14(2,3)18/h11-13,17-18H,6-10H2,1-5H3/t11?,12-,13+,15-,16+/m1/s1
InChIKeyWIXGKDDTCMCDIO-LEXRCEIVSA-N
XLogP2.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol?
The IUPAC name of 1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol (CID 134830629) is 1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol.
What is the SMILES notation for 1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol?
The canonical SMILES for 1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol is CCC(O)[C@@]1(C)CC[C@@H]([C@]2(C)CC[C@H](C(C)(C)O)O2)O1.
What is the InChIKey of 1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol?
The InChIKey is WIXGKDDTCMCDIO-LEXRCEIVSA-N. The full InChI is InChI=1S/C16H30O4/c1-6-11(17)15(4)9-8-13(20-15)16(5)10-7-12(19-16)14(2,3)18/h11-13,17-18H,6-10H2,1-5H3/t11?,12-,13+,15-,16+/m1/s1.
What are the key properties of 1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol?
1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol has a molecular weight of 286.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]propan-1-ol is sourced from PubChem (CID 134830629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).