1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol

C17H22O — CID 114190708

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol
SMILESCC(C)(C)C#CCC(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H22O/c1-17(2,3)11-5-8-16(18)15-10-9-13-6-4-7-14(13)12-15/h9-10,12,16,18H,4,6-8H2,1-3H3
InChIKeyPRKHSYLCYQTTGZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.65
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol

1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol (PubChem CID 114190708) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol
PubChem CID114190708
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol
SMILESCC(C)(C)C#CCC(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H22O/c1-17(2,3)11-5-8-16(18)15-10-9-13-6-4-7-14(13)12-15/h9-10,12,16,18H,4,6-8H2,1-3H3
InChIKeyPRKHSYLCYQTTGZ-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine
CID 114190611
1-(2,3-dihydro-1H-inden-5-yl)-4,4-dimethylpentan-1-ol
CID 115791341
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297695
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82121740
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116830936
3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116831085
1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol
CID 114195093
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82216675
1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820450

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol (CID 114190708) is 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol is CC(C)(C)C#CCC(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol?
The InChIKey is PRKHSYLCYQTTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-17(2,3)11-5-8-16(18)15-10-9-13-6-4-7-14(13)12-15/h9-10,12,16,18H,4,6-8H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol?
1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol has a molecular weight of 242.36 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol is sourced from PubChem (CID 114190708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).