8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene

C12H14 — CID 147775008

IUPAC8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
SMILESC=C1CCc2c(C)cccc2C1
InChIInChI=1S/C12H14/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-5H,1,6-8H2,2H3
InChIKeyHGQYOPLUJZPJSO-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.04
Rot. Bonds

About 8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene

8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene (PubChem CID 147775008) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
PubChem CID147775008
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
SMILESC=C1CCc2c(C)cccc2C1
InChIInChI=1S/C12H14/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-5H,1,6-8H2,2H3
InChIKeyHGQYOPLUJZPJSO-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene?
The IUPAC name of 8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene (CID 147775008) is 8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for 8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene?
The canonical SMILES for 8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene is C=C1CCc2c(C)cccc2C1.
What is the InChIKey of 8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene?
The InChIKey is HGQYOPLUJZPJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-5H,1,6-8H2,2H3.
What are the key properties of 8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene?
8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene has a molecular weight of 158.24 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 147775008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).