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

C19H24 — CID 173049280

IUPAC6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
SMILESCC(C)c1ccc2c(c1)C1(CCC2)CC2=CCC1C2
InChIInChI=1S/C19H24/c1-13(2)16-7-6-15-4-3-9-19(18(15)11-16)12-14-5-8-17(19)10-14/h5-7,11,13,17H,3-4,8-10,12H2,1-2H3
InChIKeyHQDCQYXIRCAKFX-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.12
Rot. Bonds1

About 6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]

6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] (PubChem CID 173049280) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene].

Molecular Properties

Compound Name6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
PubChem CID173049280
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
SMILESCC(C)c1ccc2c(c1)C1(CCC2)CC2=CCC1C2
InChIInChI=1S/C19H24/c1-13(2)16-7-6-15-4-3-9-19(18(15)11-16)12-14-5-8-17(19)10-14/h5-7,11,13,17H,3-4,8-10,12H2,1-2H3
InChIKeyHQDCQYXIRCAKFX-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.12
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

7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67143896
7-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 67993476
spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine
CID 67994387
spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-1-amine
CID 67993750
5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173380787
6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173380570
5-butylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173380793
5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 67993898
7-propan-2-ylspiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67144284
6-methylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67993832
8-(2-methylpropyl)spiro[3,4-dihydronaphthalene-2,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67144251
spiro[2,3-dihydroanthracene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67142770

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The IUPAC name of 6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] (CID 173049280) is 6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene].
What is the SMILES notation for 6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The canonical SMILES for 6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] is CC(C)c1ccc2c(c1)C1(CCC2)CC2=CCC1C2.
What is the InChIKey of 6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The InChIKey is HQDCQYXIRCAKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-13(2)16-7-6-15-4-3-9-19(18(15)11-16)12-14-5-8-17(19)10-14/h5-7,11,13,17H,3-4,8-10,12H2,1-2H3.
What are the key properties of 6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] has a molecular weight of 252.40 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] is sourced from PubChem (CID 173049280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).