2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene

C15H18 — CID 123196615

IUPAC2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
SMILESCC=C1C2CC2c2ccccc2C1(C)C
InChIInChI=1S/C15H18/c1-4-13-12-9-11(12)10-7-5-6-8-14(10)15(13,2)3/h4-8,11-12H,9H2,1-3H3
InChIKeyXVLVDIPLEKREPZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.03
Rot. Bonds

About 2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene

2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene (PubChem CID 123196615) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene.

Molecular Properties

Compound Name2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
PubChem CID123196615
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
SMILESCC=C1C2CC2c2ccccc2C1(C)C
InChIInChI=1S/C15H18/c1-4-13-12-9-11(12)10-7-5-6-8-14(10)15(13,2)3/h4-8,11-12H,9H2,1-3H3
InChIKeyXVLVDIPLEKREPZ-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
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 2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The IUPAC name of 2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene (CID 123196615) is 2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene.
What is the SMILES notation for 2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The canonical SMILES for 2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene is CC=C1C2CC2c2ccccc2C1(C)C.
What is the InChIKey of 2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The InChIKey is XVLVDIPLEKREPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-4-13-12-9-11(12)10-7-5-6-8-14(10)15(13,2)3/h4-8,11-12H,9H2,1-3H3.
What are the key properties of 2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene has a molecular weight of 198.31 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene is sourced from PubChem (CID 123196615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).