1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol

C16H20O — CID 104803923

IUPAC1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol
SMILESCC#CCCC(O)C1CCc2ccccc2C1
InChIInChI=1S/C16H20O/c1-2-3-4-9-16(17)15-11-10-13-7-5-6-8-14(13)12-15/h5-8,15-17H,4,9-12H2,1H3
InChIKeyJPRSEVARHJMQSW-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.96
Rot. Bonds3

About 1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol

1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol (PubChem CID 104803923) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol
PubChem CID104803923
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol
SMILESCC#CCCC(O)C1CCc2ccccc2C1
InChIInChI=1S/C16H20O/c1-2-3-4-9-16(17)15-11-10-13-7-5-6-8-14(13)12-15/h5-8,15-17H,4,9-12H2,1H3
InChIKeyJPRSEVARHJMQSW-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol (CID 104803923) is 1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol is CC#CCCC(O)C1CCc2ccccc2C1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol?
The InChIKey is JPRSEVARHJMQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-3-4-9-16(17)15-11-10-13-7-5-6-8-14(13)12-15/h5-8,15-17H,4,9-12H2,1H3.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol?
1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol is sourced from PubChem (CID 104803923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).