1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol

C10H16O — CID 107005265

IUPAC1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol
SMILESCC#CCC(O)C1CC1(C)C
InChIInChI=1S/C10H16O/c1-4-5-6-9(11)8-7-10(8,2)3/h8-9,11H,6-7H2,1-3H3
InChIKeyDKFQPYVRDRKXJP-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.81
Rot. Bonds2

About 1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol

1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol (PubChem CID 107005265) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol
PubChem CID107005265
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol
SMILESCC#CCC(O)C1CC1(C)C
InChIInChI=1S/C10H16O/c1-4-5-6-9(11)8-7-10(8,2)3/h8-9,11H,6-7H2,1-3H3
InChIKeyDKFQPYVRDRKXJP-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.81
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

1-(2,2-dimethylcyclopropyl)-5,5-dimethylhex-3-yn-1-ol
CID 130478761
1-(4,4-dimethylcyclohexyl)pent-3-yn-1-ol
CID 65391400
1-cyclooctylpent-3-yn-1-ol
CID 80603069
1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
CID 107005279
1-(1-adamantyl)pent-3-yn-1-ol
CID 62796233
[(1S)-2,2-dimethylcyclopropyl]methanediol
CID 70611170
1-(3,5-dimethyl-1-adamantyl)pent-3-yn-1-ol
CID 79986794
1-(2-methyloxolan-3-yl)pent-3-yn-1-ol
CID 115779808
1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol
CID 107005366
1-(1-adamantyl)hex-4-yn-2-amine
CID 115819931
1-cyclobutylhex-4-yn-2-ol
CID 103169912
2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003081

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol (CID 107005265) is 1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol is CC#CCC(O)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol?
The InChIKey is DKFQPYVRDRKXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-5-6-9(11)8-7-10(8,2)3/h8-9,11H,6-7H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol?
1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol has a molecular weight of 152.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol is sourced from PubChem (CID 107005265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).