2-methylbuta-1,3-diene;naphthalene

C15H16 — CID 159864264

IUPAC2-methylbuta-1,3-diene;naphthalene
SMILESC=CC(=C)C.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C5H8/c1-2-6-10-8-4-3-7-9(10)5-1;1-4-5(2)3/h1-8H;4H,1-2H2,3H3
InChIKeyNRNNVTPHALZDGM-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.59
Rot. Bonds1

About 2-methylbuta-1,3-diene;naphthalene

2-methylbuta-1,3-diene;naphthalene (PubChem CID 159864264) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methylbuta-1,3-diene;naphthalene.

Molecular Properties

Compound Name2-methylbuta-1,3-diene;naphthalene
PubChem CID159864264
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name2-methylbuta-1,3-diene;naphthalene
SMILESC=CC(=C)C.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C5H8/c1-2-6-10-8-4-3-7-9(10)5-1;1-4-5(2)3/h1-8H;4H,1-2H2,3H3
InChIKeyNRNNVTPHALZDGM-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylbuta-1,3-diene;naphthalene?
The IUPAC name of 2-methylbuta-1,3-diene;naphthalene (CID 159864264) is 2-methylbuta-1,3-diene;naphthalene.
What is the SMILES notation for 2-methylbuta-1,3-diene;naphthalene?
The canonical SMILES for 2-methylbuta-1,3-diene;naphthalene is C=CC(=C)C.c1ccc2ccccc2c1.
What is the InChIKey of 2-methylbuta-1,3-diene;naphthalene?
The InChIKey is NRNNVTPHALZDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C5H8/c1-2-6-10-8-4-3-7-9(10)5-1;1-4-5(2)3/h1-8H;4H,1-2H2,3H3.
What are the key properties of 2-methylbuta-1,3-diene;naphthalene?
2-methylbuta-1,3-diene;naphthalene has a molecular weight of 196.29 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbuta-1,3-diene;naphthalene is sourced from PubChem (CID 159864264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).