(2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol

C9H20O4 — CID 58201927

IUPAC(2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol
SMILESCC(C)(C)C(CO)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C9H20O4/c1-9(2,3)6(4-10)8(13)7(12)5-11/h6-8,10-13H,4-5H2,1-3H3/t6?,7-,8-/m1/s1
InChIKeyLSGNFJPBCPSIDK-SPDVFEMOSA-N
MW192.25 g/mol
LogP-0.64
Rot. Bonds4

About (2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol

(2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol (PubChem CID 58201927) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is (2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol.

Molecular Properties

Compound Name(2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol
PubChem CID58201927
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name(2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol
SMILESCC(C)(C)C(CO)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C9H20O4/c1-9(2,3)6(4-10)8(13)7(12)5-11/h6-8,10-13H,4-5H2,1-3H3/t6?,7-,8-/m1/s1
InChIKeyLSGNFJPBCPSIDK-SPDVFEMOSA-N
XLogP-0.64
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-ethylhexane-1,3-diol
CID 88823299
(2R,3R)-2-tert-butylbutane-1,3-diol
CID 130875364
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
6-amino-5-methylhexane-1,2,3,4,5-pentol
CID 174511102
(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol
CID 58201913
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol?
The IUPAC name of (2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol (CID 58201927) is (2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol.
What is the SMILES notation for (2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol?
The canonical SMILES for (2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol is CC(C)(C)C(CO)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol?
The InChIKey is LSGNFJPBCPSIDK-SPDVFEMOSA-N. The full InChI is InChI=1S/C9H20O4/c1-9(2,3)6(4-10)8(13)7(12)5-11/h6-8,10-13H,4-5H2,1-3H3/t6?,7-,8-/m1/s1.
What are the key properties of (2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol?
(2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol has a molecular weight of 192.25 g/mol, XLogP of -0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol is sourced from PubChem (CID 58201927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).