1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol

C8H12O — CID 107005366

IUPAC1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol
SMILESC#CC(O)C1CC1(C)C
InChIInChI=1S/C8H12O/c1-4-7(9)6-5-8(6,2)3/h1,6-7,9H,5H2,2-3H3
InChIKeyJHXHZMFKNYHVPK-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.03
Rot. Bonds1

About 1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol

1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol (PubChem CID 107005366) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol
PubChem CID107005366
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol
SMILESC#CC(O)C1CC1(C)C
InChIInChI=1S/C8H12O/c1-4-7(9)6-5-8(6,2)3/h1,6-7,9H,5H2,2-3H3
InChIKeyJHXHZMFKNYHVPK-UHFFFAOYSA-N
XLogP1.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.03
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

[(1S)-2,2-dimethylcyclopropyl]methanediol
CID 70611170
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol
CID 23550172
1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol
CID 107005265
cyclopentyl-(2,2-dimethylcyclopropyl)methanol
CID 76740101
(E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol
CID 23261143
cyclobutyl-(2,2-dimethylcyclopropyl)methanol
CID 107005486
(R)-cyclohexyl-[(1R)-2,2-dimethylcyclopropyl]methanol
CID 101342425
1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
CID 107005279
(1R)-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-yn-1-ol
CID 11322167
(5S,8R,9S,10S,13S,14S,17S)-17-(1-hydroxyprop-2-ynyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 87903178
1-cyclooctylprop-2-yn-1-ol
CID 22150534
(1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol
CID 130563414

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol (CID 107005366) is 1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol is C#CC(O)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol?
The InChIKey is JHXHZMFKNYHVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-4-7(9)6-5-8(6,2)3/h1,6-7,9H,5H2,2-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol?
1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol is sourced from PubChem (CID 107005366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).