(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol

C11H24O — CID 59910933

IUPAC(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol
SMILESCCC[C@](O)(C(C)C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-7-8-11(12,9(2)3)10(4,5)6/h9,12H,7-8H2,1-6H3/t11-/m0/s1
InChIKeyJWYRCMWHIPGFNG-NSHDSACASA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds3

About (3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol

(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol (PubChem CID 59910933) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is (3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol.

Molecular Properties

Compound Name(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol
PubChem CID59910933
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol
SMILESCCC[C@](O)(C(C)C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-7-8-11(12,9(2)3)10(4,5)6/h9,12H,7-8H2,1-6H3/t11-/m0/s1
InChIKeyJWYRCMWHIPGFNG-NSHDSACASA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-3-propylhexane-2,3-diol
CID 69305500
3-ethyl-2,4-dimethylpentane-2,3-diol
CID 23384901
3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid
CID 83697497
3-ethyl-2,2-dimethyl-3-propan-2-ylhexane
CID 57491483
3-methyl-3-propylhexan-2-ol
CID 20501676
14,14-didodecyl-13-propan-2-ylhexacosan-13-ol
CID 23373241
2-tert-butyl-3-methyl-2-propylbutanedioic acid
CID 88879853
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
4-methylheptane-2,3,4-triol
CID 158291327
(3R,4R)-2,2,3,4-tetramethylhexan-3-ol
CID 170849873
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol?
The IUPAC name of (3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol (CID 59910933) is (3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol.
What is the SMILES notation for (3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol?
The canonical SMILES for (3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol is CCC[C@](O)(C(C)C)C(C)(C)C.
What is the InChIKey of (3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol?
The InChIKey is JWYRCMWHIPGFNG-NSHDSACASA-N. The full InChI is InChI=1S/C11H24O/c1-7-8-11(12,9(2)3)10(4,5)6/h9,12H,7-8H2,1-6H3/t11-/m0/s1.
What are the key properties of (3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol?
(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol is sourced from PubChem (CID 59910933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).