spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]

C16H18 — CID 173049305

IUPACspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESC1=CC2CC1CC21CCCc2ccccc21
InChIInChI=1S/C16H18/c1-2-6-15-13(4-1)5-3-9-16(15)11-12-7-8-14(16)10-12/h1-2,4,6-8,12,14H,3,5,9-11H2
InChIKeyVEQMEHICORJLMM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.86
Rot. Bonds

About spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]

spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 173049305) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Namespiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID173049305
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Namespiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESC1=CC2CC1CC21CCCc2ccccc21
InChIInChI=1S/C16H18/c1-2-6-15-13(4-1)5-3-9-16(15)11-12-7-8-14(16)10-12/h1-2,4,6-8,12,14H,3,5,9-11H2
InChIKeyVEQMEHICORJLMM-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
Abietatriene
CID 6432211
1,1,2,3,3-Pentamethylindan
CID 14549
1,1,4,4-Tetramethyltetralin
CID 81186
1,3,5(10)-Estratriene
CID 150899
Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-
CID 6663
Dehydroabietane
CID 86869
1-Methyltetraline
CID 15262
1-Phenyl-1,2,3,4-tetrahydronaphthalene
CID 18178
1-Methyl-3-phenylindane
CID 22924
1,5-Dimethyltetralin
CID 89516
1,1,3,4,4,6-Hexamethyltetralin
CID 102750

Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] (CID 173049305) is spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] is C1=CC2CC1CC21CCCc2ccccc21.
What is the InChIKey of spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is VEQMEHICORJLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-2-6-15-13(4-1)5-3-9-16(15)11-12-7-8-14(16)10-12/h1-2,4,6-8,12,14H,3,5,9-11H2.
What are the key properties of spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 210.32 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 173049305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).