(3R)-2,3-dimethylhex-5-yn-3-ol

C8H14O — CID 101411316

IUPAC(3R)-2,3-dimethylhex-5-yn-3-ol
SMILESC#CC[C@@](C)(O)C(C)C
InChIInChI=1S/C8H14O/c1-5-6-8(4,9)7(2)3/h1,7,9H,6H2,2-4H3/t8-/m1/s1
InChIKeyRPHSEWGLCGRKKN-MRVPVSSYSA-N
MW126.20 g/mol
LogP1.42
Rot. Bonds2

About (3R)-2,3-dimethylhex-5-yn-3-ol

(3R)-2,3-dimethylhex-5-yn-3-ol (PubChem CID 101411316) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3R)-2,3-dimethylhex-5-yn-3-ol.

Molecular Properties

Compound Name(3R)-2,3-dimethylhex-5-yn-3-ol
PubChem CID101411316
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3R)-2,3-dimethylhex-5-yn-3-ol
SMILESC#CC[C@@](C)(O)C(C)C
InChIInChI=1S/C8H14O/c1-5-6-8(4,9)7(2)3/h1,7,9H,6H2,2-4H3/t8-/m1/s1
InChIKeyRPHSEWGLCGRKKN-MRVPVSSYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol
CID 106221057
1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol
CID 106211303
4-prop-2-ynylhepta-1,6-diyn-4-ol
CID 87493647
2-hydroxy-2-methylpent-4-ynoic acid
CID 55302741
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol
CID 66037290
(2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol
CID 178185600
2-cyclopropylpent-4-yn-2-ol
CID 10654223
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2,3,3-trimethylhex-1-en-5-yne
CID 123638102
3,3-dimethylhex-5-yn-1-ol
CID 58124842
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethylhex-5-yn-3-ol?
The IUPAC name of (3R)-2,3-dimethylhex-5-yn-3-ol (CID 101411316) is (3R)-2,3-dimethylhex-5-yn-3-ol.
What is the SMILES notation for (3R)-2,3-dimethylhex-5-yn-3-ol?
The canonical SMILES for (3R)-2,3-dimethylhex-5-yn-3-ol is C#CC[C@@](C)(O)C(C)C.
What is the InChIKey of (3R)-2,3-dimethylhex-5-yn-3-ol?
The InChIKey is RPHSEWGLCGRKKN-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-6-8(4,9)7(2)3/h1,7,9H,6H2,2-4H3/t8-/m1/s1.
What are the key properties of (3R)-2,3-dimethylhex-5-yn-3-ol?
(3R)-2,3-dimethylhex-5-yn-3-ol has a molecular weight of 126.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethylhex-5-yn-3-ol is sourced from PubChem (CID 101411316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).