2-methyldec-5-yn-2-ol

C11H20O — CID 135039864

IUPAC2-methyldec-5-yn-2-ol
SMILESCCCCC#CCCC(C)(C)O
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-9-10-11(2,3)12/h12H,4-6,9-10H2,1-3H3
InChIKeyXRWALZCVGOWYAN-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.73
Rot. Bonds4

About 2-methyldec-5-yn-2-ol

2-methyldec-5-yn-2-ol (PubChem CID 135039864) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyldec-5-yn-2-ol.

Molecular Properties

Compound Name2-methyldec-5-yn-2-ol
PubChem CID135039864
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-methyldec-5-yn-2-ol
SMILESCCCCC#CCCC(C)(C)O
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-9-10-11(2,3)12/h12H,4-6,9-10H2,1-3H3
InChIKeyXRWALZCVGOWYAN-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
pentadeca-5,10-diyne
CID 15530767
1-amino-2,3-dimethylnon-4-yne-2,3-diol
CID 141319209
2-methylhexan-2-ol;yttrium
CID 58823506
gold;2-methylhexan-2-ol
CID 18513333
3-methylnon-4-yn-3-ol
CID 71352867
2-methyldodecan-2-ol
CID 547702
tetradeca-4,9-diyne
CID 173328648
6-methyltridec-7-yn-6-ol
CID 10353086
methane;bis(oct-3-yne)
CID 159540057
azanium;2-methylhexadecan-2-ol;bromide
CID 159318325
pentadeca-5,10-diyn-1-ol
CID 560933

Frequently Asked Questions

What is the IUPAC name of 2-methyldec-5-yn-2-ol?
The IUPAC name of 2-methyldec-5-yn-2-ol (CID 135039864) is 2-methyldec-5-yn-2-ol.
What is the SMILES notation for 2-methyldec-5-yn-2-ol?
The canonical SMILES for 2-methyldec-5-yn-2-ol is CCCCC#CCCC(C)(C)O.
What is the InChIKey of 2-methyldec-5-yn-2-ol?
The InChIKey is XRWALZCVGOWYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-8-9-10-11(2,3)12/h12H,4-6,9-10H2,1-3H3.
What are the key properties of 2-methyldec-5-yn-2-ol?
2-methyldec-5-yn-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldec-5-yn-2-ol is sourced from PubChem (CID 135039864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).