(2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol

C54H126O9 — CID 158599467

IUPAC(2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol
SMILESCC(C)[C@@H](C)CO.CC(C)[C@H](C)CO.CCC[C@@H](C)CO.CCC[C@H](C)CO.CC[C@@H](C)CO.CC[C@H](C)CO.CC[C@H](C)[C@@H](C)O.C[C@@H](CO)C(C)(C)C.C[C@H](CO)C(C)(C)C
InChIInChI=1S/2C7H16O.5C6H14O.2C5H12O/c2*1-6(5-8)7(2,3)4;2*1-5(2)6(3)4-7;1-4-5(2)6(3)7;2*1-3-4-6(2)5-7;2*1-3-5(2)4-6/h2*6,8H,5H2,1-4H3;3*5-7H,4H2,1-3H3;2*6-7H,3-5H2,1-2H3;2*5-6H,3-4H2,1-2H3/t4*6-;5-,6+;2*6-;2*5-/m101001010/s1
InChIKeyHVLKZFGMPJSJCY-JUGMRLKOSA-N
MW919.59 g/mol
LogP12.16
Rot. Bonds18

About (2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol

(2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol (PubChem CID 158599467) has the molecular formula C54H126O9 and a molecular weight of 919.59 g/mol. Its IUPAC name is (2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol
PubChem CID158599467
Molecular FormulaC54H126O9
Molecular Weight919.59 g/mol
Exact Mass918.94
IUPAC Name(2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol
SMILESCC(C)[C@@H](C)CO.CC(C)[C@H](C)CO.CCC[C@@H](C)CO.CCC[C@H](C)CO.CC[C@@H](C)CO.CC[C@H](C)CO.CC[C@H](C)[C@@H](C)O.C[C@@H](CO)C(C)(C)C.C[C@H](CO)C(C)(C)C
InChIInChI=1S/2C7H16O.5C6H14O.2C5H12O/c2*1-6(5-8)7(2,3)4;2*1-5(2)6(3)4-7;1-4-5(2)6(3)7;2*1-3-4-6(2)5-7;2*1-3-5(2)4-6/h2*6,8H,5H2,1-4H3;3*5-7H,4H2,1-3H3;2*6-7H,3-5H2,1-2H3;2*5-6H,3-4H2,1-2H3/t4*6-;5-,6+;2*6-;2*5-/m101001010/s1
InChIKeyHVLKZFGMPJSJCY-JUGMRLKOSA-N
XLogP12.16
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.59
LogP ≤ 512.16
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze (2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;2-methylpentan-1-ol;dihydrochloride
CID 174415462
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518
(2S,3R)-3-methylpentan-2-ol
CID 6993006
magnesium;hydride;2-methylpentan-1-ol;hydrochloride
CID 174286347
2-methylbutan-1-ol;zirconium
CID 152608404
2-methylpentan-1-ol;4-methylpentan-2-ol
CID 160710819
(2R)-3-methylhexan-2-ol
CID 88692749
3-methylpentan-2-ol;3-methylpentan-3-ol
CID 158561904
2,3-dimethylpentane;hexan-3-ol
CID 143653257
3,6-dimethylnonan-4-ol
CID 56626033
3-methyl-4-(2-methylpentoxy)butan-2-ol
CID 19013944
4,5,5-trimethyl-2-propylhexan-1-ol
CID 156689445

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol?
The IUPAC name of (2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol (CID 158599467) is (2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol.
What is the SMILES notation for (2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol?
The canonical SMILES for (2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol is CC(C)[C@@H](C)CO.CC(C)[C@H](C)CO.CCC[C@@H](C)CO.CCC[C@H](C)CO.CC[C@@H](C)CO.CC[C@H](C)CO.CC[C@H](C)[C@@H](C)O.C[C@@H](CO)C(C)(C)C.C[C@H](CO)C(C)(C)C.
What is the InChIKey of (2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol?
The InChIKey is HVLKZFGMPJSJCY-JUGMRLKOSA-N. The full InChI is InChI=1S/2C7H16O.5C6H14O.2C5H12O/c2*1-6(5-8)7(2,3)4;2*1-5(2)6(3)4-7;1-4-5(2)6(3)7;2*1-3-4-6(2)5-7;2*1-3-5(2)4-6/h2*6,8H,5H2,1-4H3;3*5-7H,4H2,1-3H3;2*6-7H,3-5H2,1-2H3;2*5-6H,3-4H2,1-2H3/t4*6-;5-,6+;2*6-;2*5-/m101001010/s1.
What are the key properties of (2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol?
(2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol has a molecular weight of 919.59 g/mol, XLogP of 12.16, 18 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol is sourced from PubChem (CID 158599467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).