2-ethynyl-3-methyl-1-prop-1-enylnaphthalene

C16H14 — CID 123697690

IUPAC2-ethynyl-3-methyl-1-prop-1-enylnaphthalene
SMILESC#Cc1c(C)cc2ccccc2c1C=CC
InChIInChI=1S/C16H14/c1-4-8-16-14(5-2)12(3)11-13-9-6-7-10-15(13)16/h2,4,6-11H,1,3H3
InChIKeyGNMFXAKMCLOKDO-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.16
Rot. Bonds1

About 2-ethynyl-3-methyl-1-prop-1-enylnaphthalene

2-ethynyl-3-methyl-1-prop-1-enylnaphthalene (PubChem CID 123697690) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-ethynyl-3-methyl-1-prop-1-enylnaphthalene.

Molecular Properties

Compound Name2-ethynyl-3-methyl-1-prop-1-enylnaphthalene
PubChem CID123697690
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name2-ethynyl-3-methyl-1-prop-1-enylnaphthalene
SMILESC#Cc1c(C)cc2ccccc2c1C=CC
InChIInChI=1S/C16H14/c1-4-8-16-14(5-2)12(3)11-13-9-6-7-10-15(13)16/h2,4,6-11H,1,3H3
InChIKeyGNMFXAKMCLOKDO-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-ethynyl-3-methyl-1-prop-1-enylnaphthalene?
The IUPAC name of 2-ethynyl-3-methyl-1-prop-1-enylnaphthalene (CID 123697690) is 2-ethynyl-3-methyl-1-prop-1-enylnaphthalene.
What is the SMILES notation for 2-ethynyl-3-methyl-1-prop-1-enylnaphthalene?
The canonical SMILES for 2-ethynyl-3-methyl-1-prop-1-enylnaphthalene is C#Cc1c(C)cc2ccccc2c1C=CC.
What is the InChIKey of 2-ethynyl-3-methyl-1-prop-1-enylnaphthalene?
The InChIKey is GNMFXAKMCLOKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-4-8-16-14(5-2)12(3)11-13-9-6-7-10-15(13)16/h2,4,6-11H,1,3H3.
What are the key properties of 2-ethynyl-3-methyl-1-prop-1-enylnaphthalene?
2-ethynyl-3-methyl-1-prop-1-enylnaphthalene has a molecular weight of 206.29 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-3-methyl-1-prop-1-enylnaphthalene is sourced from PubChem (CID 123697690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).