1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen

C24H24 — CID 159684662

IUPAC1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen
SMILESC#CC#CC#CC#CC#C.CC(C)(C)c1cccc2ccccc12.[H][H].[H][H].[H][H]
InChIInChI=1S/C14H16.C10H2.3H2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-3-5-7-9-10-8-6-4-2;;;/h4-10H,1-3H3;1-2H;3*1H
InChIKeyMVQFGUZDLHIJGP-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.14
Rot. Bonds

About 1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen

1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen (PubChem CID 159684662) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen.

Molecular Properties

Compound Name1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen
PubChem CID159684662
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen
SMILESC#CC#CC#CC#CC#C.CC(C)(C)c1cccc2ccccc12.[H][H].[H][H].[H][H]
InChIInChI=1S/C14H16.C10H2.3H2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-3-5-7-9-10-8-6-4-2;;;/h4-10H,1-3H3;1-2H;3*1H
InChIKeyMVQFGUZDLHIJGP-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.14
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-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen?
The IUPAC name of 1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen (CID 159684662) is 1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen.
What is the SMILES notation for 1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen?
The canonical SMILES for 1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen is C#CC#CC#CC#CC#C.CC(C)(C)c1cccc2ccccc12.[H][H].[H][H].[H][H].
What is the InChIKey of 1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen?
The InChIKey is MVQFGUZDLHIJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C10H2.3H2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-3-5-7-9-10-8-6-4-2;;;/h4-10H,1-3H3;1-2H;3*1H.
What are the key properties of 1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen?
1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen has a molecular weight of 312.46 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen is sourced from PubChem (CID 159684662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).