(2S)-2-benzyl-3,3-dimethylbutan-1-ol

C13H20O — CID 11805570

IUPAC(2S)-2-benzyl-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H20O/c1-13(2,3)12(10-14)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyIUQMCUXWPFCKKN-GFCCVEGCSA-N
MW192.30 g/mol
LogP2.88
Rot. Bonds3

About (2S)-2-benzyl-3,3-dimethylbutan-1-ol

(2S)-2-benzyl-3,3-dimethylbutan-1-ol (PubChem CID 11805570) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2S)-2-benzyl-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-benzyl-3,3-dimethylbutan-1-ol
PubChem CID11805570
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2S)-2-benzyl-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H20O/c1-13(2,3)12(10-14)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyIUQMCUXWPFCKKN-GFCCVEGCSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
CID 83138672
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol
CID 83138776
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
3-benzyl-2,2-dimethyl-4-phenylbutanamide
CID 175211278
(2R,3R)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467628
(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467630
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol
CID 15830826
3,3-dimethyl-2-(phenylmethoxymethyl)butan-1-ol;methanesulfonic acid
CID 71342429
(2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol
CID 102426580

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-3,3-dimethylbutan-1-ol?
The IUPAC name of (2S)-2-benzyl-3,3-dimethylbutan-1-ol (CID 11805570) is (2S)-2-benzyl-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (2S)-2-benzyl-3,3-dimethylbutan-1-ol?
The canonical SMILES for (2S)-2-benzyl-3,3-dimethylbutan-1-ol is CC(C)(C)[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-benzyl-3,3-dimethylbutan-1-ol?
The InChIKey is IUQMCUXWPFCKKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20O/c1-13(2,3)12(10-14)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (2S)-2-benzyl-3,3-dimethylbutan-1-ol?
(2S)-2-benzyl-3,3-dimethylbutan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 11805570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).