7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene

C14H16 — CID 145472095

IUPAC7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
SMILESC=Cc1ccc2c(c1)CCC(=C)C2C
InChIInChI=1S/C14H16/c1-4-12-6-8-14-11(3)10(2)5-7-13(14)9-12/h4,6,8-9,11H,1-2,5,7H2,3H3
InChIKeyGBDUGPOLLPQSQI-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.94
Rot. Bonds1

About 7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene

7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene (PubChem CID 145472095) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
PubChem CID145472095
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
SMILESC=Cc1ccc2c(c1)CCC(=C)C2C
InChIInChI=1S/C14H16/c1-4-12-6-8-14-11(3)10(2)5-7-13(14)9-12/h4,6,8-9,11H,1-2,5,7H2,3H3
InChIKeyGBDUGPOLLPQSQI-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.94
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 7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene?
The IUPAC name of 7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene (CID 145472095) is 7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for 7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene?
The canonical SMILES for 7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene is C=Cc1ccc2c(c1)CCC(=C)C2C.
What is the InChIKey of 7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene?
The InChIKey is GBDUGPOLLPQSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-4-12-6-8-14-11(3)10(2)5-7-13(14)9-12/h4,6,8-9,11H,1-2,5,7H2,3H3.
What are the key properties of 7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene?
7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene has a molecular weight of 184.28 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 145472095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).