acetylene;ethane;1-methylnaphthalene

C15H18 — CID 167495690

IUPACacetylene;ethane;1-methylnaphthalene
SMILESC#C.CC.Cc1cccc2ccccc12
InChIInChI=1S/C11H10.C2H6.C2H2/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2/h2-8H,1H3;1-2H3;1-2H
InChIKeyICHDVLPDLPTWDS-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.42
Rot. Bonds

About acetylene;ethane;1-methylnaphthalene

acetylene;ethane;1-methylnaphthalene (PubChem CID 167495690) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is acetylene;ethane;1-methylnaphthalene.

Molecular Properties

Compound Nameacetylene;ethane;1-methylnaphthalene
PubChem CID167495690
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Nameacetylene;ethane;1-methylnaphthalene
SMILESC#C.CC.Cc1cccc2ccccc12
InChIInChI=1S/C11H10.C2H6.C2H2/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2/h2-8H,1H3;1-2H3;1-2H
InChIKeyICHDVLPDLPTWDS-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.42
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 acetylene;ethane;1-methylnaphthalene?
The IUPAC name of acetylene;ethane;1-methylnaphthalene (CID 167495690) is acetylene;ethane;1-methylnaphthalene.
What is the SMILES notation for acetylene;ethane;1-methylnaphthalene?
The canonical SMILES for acetylene;ethane;1-methylnaphthalene is C#C.CC.Cc1cccc2ccccc12.
What is the InChIKey of acetylene;ethane;1-methylnaphthalene?
The InChIKey is ICHDVLPDLPTWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C2H6.C2H2/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2/h2-8H,1H3;1-2H3;1-2H.
What are the key properties of acetylene;ethane;1-methylnaphthalene?
acetylene;ethane;1-methylnaphthalene has a molecular weight of 198.31 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;1-methylnaphthalene is sourced from PubChem (CID 167495690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).