(3R)-2,5,5-trimethylhexan-3-ol

C9H20O — CID 167343865

IUPAC(3R)-2,5,5-trimethylhexan-3-ol
SMILESCC(C)[C@H](O)CC(C)(C)C
InChIInChI=1S/C9H20O/c1-7(2)8(10)6-9(3,4)5/h7-8,10H,6H2,1-5H3/t8-/m1/s1
InChIKeyNPUIBFBNZSKEAP-MRVPVSSYSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds2

About (3R)-2,5,5-trimethylhexan-3-ol

(3R)-2,5,5-trimethylhexan-3-ol (PubChem CID 167343865) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is (3R)-2,5,5-trimethylhexan-3-ol.

Molecular Properties

Compound Name(3R)-2,5,5-trimethylhexan-3-ol
PubChem CID167343865
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name(3R)-2,5,5-trimethylhexan-3-ol
SMILESCC(C)[C@H](O)CC(C)(C)C
InChIInChI=1S/C9H20O/c1-7(2)8(10)6-9(3,4)5/h7-8,10H,6H2,1-5H3/t8-/m1/s1
InChIKeyNPUIBFBNZSKEAP-MRVPVSSYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol
CID 58202019
3,3-dimethylbutan-1-ol;1-methoxy-3,3-dimethylbutane;2,5,5-trimethylhexan-3-ol
CID 158069873
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
(2R,3S,4R)-2,6,6-trimethylheptane-1,3,4-triol
CID 88965290
2,6,6-trimethylheptan-3-ol
CID 20577986
(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol
CID 58201913
2,2,4,9-tetramethyldecan-5-ol
CID 156689448
2,5,7,7-tetramethyloctan-4-ol
CID 156689724
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
(2R)-4,4-dimethyl-2-propan-2-ylpentan-1-ol
CID 167343792
2,7,7-trimethylnonan-3-ol
CID 162360269
4,4,6,8,8-pentamethylnonan-2-ol
CID 156689578

Frequently Asked Questions

What is the IUPAC name of (3R)-2,5,5-trimethylhexan-3-ol?
The IUPAC name of (3R)-2,5,5-trimethylhexan-3-ol (CID 167343865) is (3R)-2,5,5-trimethylhexan-3-ol.
What is the SMILES notation for (3R)-2,5,5-trimethylhexan-3-ol?
The canonical SMILES for (3R)-2,5,5-trimethylhexan-3-ol is CC(C)[C@H](O)CC(C)(C)C.
What is the InChIKey of (3R)-2,5,5-trimethylhexan-3-ol?
The InChIKey is NPUIBFBNZSKEAP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20O/c1-7(2)8(10)6-9(3,4)5/h7-8,10H,6H2,1-5H3/t8-/m1/s1.
What are the key properties of (3R)-2,5,5-trimethylhexan-3-ol?
(3R)-2,5,5-trimethylhexan-3-ol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,5,5-trimethylhexan-3-ol is sourced from PubChem (CID 167343865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).