4,4,6,6-tetramethylhept-2-yn-1-ol

C11H20O — CID 145209005

IUPAC4,4,6,6-tetramethylhept-2-yn-1-ol
SMILESCC(C)(C)CC(C)(C)C#CCO
InChIInChI=1S/C11H20O/c1-10(2,3)9-11(4,5)7-6-8-12/h12H,8-9H2,1-5H3
InChIKeyISCGFMJCJSUYRK-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds1

About 4,4,6,6-tetramethylhept-2-yn-1-ol

4,4,6,6-tetramethylhept-2-yn-1-ol (PubChem CID 145209005) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4,4,6,6-tetramethylhept-2-yn-1-ol.

Molecular Properties

Compound Name4,4,6,6-tetramethylhept-2-yn-1-ol
PubChem CID145209005
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4,4,6,6-tetramethylhept-2-yn-1-ol
SMILESCC(C)(C)CC(C)(C)C#CCO
InChIInChI=1S/C11H20O/c1-10(2,3)9-11(4,5)7-6-8-12/h12H,8-9H2,1-5H3
InChIKeyISCGFMJCJSUYRK-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.44
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-Heptyn-1-ol, 6-methyl-
CID 11469082
(3R)-2,2-Dimethylnon-4-yn-3-ol
CID 13213900
(3S)-2,2-dimethylnon-4-yn-3-ol
CID 13213901
Trimethyl-1-pentynyl alcohol
CID 175665296
2,2,9,9-Tetramethyldeca-5,7-diyn-4-ol
CID 15939975
(R)-4-Methyloct-2-yn-1-ol
CID 130806852
3,3-Dimethylhex-1-yn-1-ol
CID 18544814
2-Methyl-2-(2-methylpropyl)pent-3-yn-1-ol
CID 20698412
5,5-Dimethylhex-2-yn-1-ol
CID 21284627
2,2-Dimethylhept-4-yn-1-ol
CID 57855455
2,5,5,7-Tetramethyl-2-propan-2-yloct-3-yn-1-ol
CID 59018668
Ethanol;2,2,4-trimethylpentane
CID 88369157

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethylhept-2-yn-1-ol?
The IUPAC name of 4,4,6,6-tetramethylhept-2-yn-1-ol (CID 145209005) is 4,4,6,6-tetramethylhept-2-yn-1-ol.
What is the SMILES notation for 4,4,6,6-tetramethylhept-2-yn-1-ol?
The canonical SMILES for 4,4,6,6-tetramethylhept-2-yn-1-ol is CC(C)(C)CC(C)(C)C#CCO.
What is the InChIKey of 4,4,6,6-tetramethylhept-2-yn-1-ol?
The InChIKey is ISCGFMJCJSUYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2,3)9-11(4,5)7-6-8-12/h12H,8-9H2,1-5H3.
What are the key properties of 4,4,6,6-tetramethylhept-2-yn-1-ol?
4,4,6,6-tetramethylhept-2-yn-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethylhept-2-yn-1-ol is sourced from PubChem (CID 145209005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).