7-propan-2-ylspiro[3.4]octa-2,7-diene

C11H16 — CID 123347624

IUPAC7-propan-2-ylspiro[3.4]octa-2,7-diene
SMILESCC(C)C1=CC2(C=CC2)CC1
InChIInChI=1S/C11H16/c1-9(2)10-4-7-11(8-10)5-3-6-11/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyPYSICSHGDXKVCI-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds1

About 7-propan-2-ylspiro[3.4]octa-2,7-diene

7-propan-2-ylspiro[3.4]octa-2,7-diene (PubChem CID 123347624) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 7-propan-2-ylspiro[3.4]octa-2,7-diene.

Molecular Properties

Compound Name7-propan-2-ylspiro[3.4]octa-2,7-diene
PubChem CID123347624
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name7-propan-2-ylspiro[3.4]octa-2,7-diene
SMILESCC(C)C1=CC2(C=CC2)CC1
InChIInChI=1S/C11H16/c1-9(2)10-4-7-11(8-10)5-3-6-11/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyPYSICSHGDXKVCI-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.31
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

4,4-dimethyl-1-propan-2-ylcyclohexene;ethane
CID 169162938
2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde
CID 11263703
10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one
CID 129090920
4-methoxy-4-methyl-1-propan-2-ylcyclohexene
CID 14113117
3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene
CID 170581542
8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene
CID 177049602
(5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]deca-3,6-diene
CID 15860318
tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one
CID 129091087
1-propan-2-ylcyclohepta-1,3-diene
CID 20800715
barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
CID 173388440
3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene
CID 159109168

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylspiro[3.4]octa-2,7-diene?
The IUPAC name of 7-propan-2-ylspiro[3.4]octa-2,7-diene (CID 123347624) is 7-propan-2-ylspiro[3.4]octa-2,7-diene.
What is the SMILES notation for 7-propan-2-ylspiro[3.4]octa-2,7-diene?
The canonical SMILES for 7-propan-2-ylspiro[3.4]octa-2,7-diene is CC(C)C1=CC2(C=CC2)CC1.
What is the InChIKey of 7-propan-2-ylspiro[3.4]octa-2,7-diene?
The InChIKey is PYSICSHGDXKVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-9(2)10-4-7-11(8-10)5-3-6-11/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of 7-propan-2-ylspiro[3.4]octa-2,7-diene?
7-propan-2-ylspiro[3.4]octa-2,7-diene has a molecular weight of 148.25 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylspiro[3.4]octa-2,7-diene is sourced from PubChem (CID 123347624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).