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

C20H26 — CID 173380637

IUPAC8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCCCCc1cccc2c1CCCC21CC2C=CC1C2
InChIInChI=1S/C20H26/c1-2-3-6-16-7-4-9-19-18(16)8-5-12-20(19)14-15-10-11-17(20)13-15/h4,7,9-11,15,17H,2-3,5-6,8,12-14H2,1H3
InChIKeyMKUVPEIXKHQJPO-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.20
Rot. Bonds3

About 8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]

8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 173380637) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Name8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID173380637
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCCCCc1cccc2c1CCCC21CC2C=CC1C2
InChIInChI=1S/C20H26/c1-2-3-6-16-7-4-9-19-18(16)8-5-12-20(19)14-15-10-11-17(20)13-15/h4,7,9-11,15,17H,2-3,5-6,8,12-14H2,1H3
InChIKeyMKUVPEIXKHQJPO-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380669
8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380701
5-butylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380606
5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 67993833
7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380727
5-ethylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993819
6-butylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67994339
6-butyl-2,3,4,5-tetrahydro-1H-3-benzazepine;ethane
CID 142198128
5-butylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173380793
8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105469834
4-butyl-2,3-dihydro-1H-inden-1-amine
CID 103852528
1,3-dibutyl-2-ethylbenzene
CID 22713046

Frequently Asked Questions

What is the IUPAC name of 8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of 8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] (CID 173380637) is 8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for 8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for 8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] is CCCCc1cccc2c1CCCC21CC2C=CC1C2.
What is the InChIKey of 8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is MKUVPEIXKHQJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-2-3-6-16-7-4-9-19-18(16)8-5-12-20(19)14-15-10-11-17(20)13-15/h4,7,9-11,15,17H,2-3,5-6,8,12-14H2,1H3.
What are the key properties of 8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 266.43 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 173380637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).