1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene

C18H20 — CID 140657061

IUPAC1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene
SMILESCC(C)C#Cc1ccc(C(C)C)c2ccccc12
InChIInChI=1S/C18H20/c1-13(2)9-10-15-11-12-16(14(3)4)18-8-6-5-7-17(15)18/h5-8,11-14H,1-4H3
InChIKeyMEUULCSJQRYXPE-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.97
Rot. Bonds1

About 1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene

1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene (PubChem CID 140657061) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene
PubChem CID140657061
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene
SMILESCC(C)C#Cc1ccc(C(C)C)c2ccccc12
InChIInChI=1S/C18H20/c1-13(2)9-10-15-11-12-16(14(3)4)18-8-6-5-7-17(15)18/h5-8,11-14H,1-4H3
InChIKeyMEUULCSJQRYXPE-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.97
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 1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene?
The IUPAC name of 1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene (CID 140657061) is 1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene.
What is the SMILES notation for 1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene?
The canonical SMILES for 1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene is CC(C)C#Cc1ccc(C(C)C)c2ccccc12.
What is the InChIKey of 1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene?
The InChIKey is MEUULCSJQRYXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-13(2)9-10-15-11-12-16(14(3)4)18-8-6-5-7-17(15)18/h5-8,11-14H,1-4H3.
What are the key properties of 1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene?
1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene has a molecular weight of 236.36 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene is sourced from PubChem (CID 140657061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).