spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene

C78H120 — CID 161046908

IUPACspiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene
SMILESC1=CCC2(C1)CC=CC2.C1=CCC2(C1)CCC2.C1=CCC2(C1)CCCC2.C1=CCC2(C1)CCCCCC2.C1=CCC2(C=C1)CCCC2.C1=CCC2(CC1)CCC2.C1=CCC2(CC1)CCCCC2.C1=CCCC2(CC1)CCCC2
InChIInChI=1S/3C11H18.C10H14.C9H14.C9H12.C9H14.C8H12/c1-3-7-11(8-4-1)9-5-2-6-10-11;2*1-2-4-8-11(7-3-1)9-5-6-10-11;1-2-6-10(7-3-1)8-4-5-9-10;2*1-2-6-9(5-1)7-3-4-8-9;1-2-5-9(6-3-1)7-4-8-9;1-2-5-8(4-1)6-3-7-8/h1,3H,2,4-10H2;5-6H,1-4,7-10H2;1-2H,3-10H2;1-3,6H,4-5,7-9H2;1-2H,3-8H2;1-4H,5-8H2;1-2H,3-8H2;1-2H,3-7H2
InChIKeyUBPQTYZYRFXYEV-UHFFFAOYSA-N
MW1057.82 g/mol
LogP25.07
Rot. Bonds

About spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene

spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene (PubChem CID 161046908) has the molecular formula C78H120 and a molecular weight of 1057.82 g/mol. Its IUPAC name is spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene.

Molecular Properties

Compound Namespiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene
PubChem CID161046908
Molecular FormulaC78H120
Molecular Weight1057.82 g/mol
Exact Mass1056.94
IUPAC Namespiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene
SMILESC1=CCC2(C1)CC=CC2.C1=CCC2(C1)CCC2.C1=CCC2(C1)CCCC2.C1=CCC2(C1)CCCCCC2.C1=CCC2(C=C1)CCCC2.C1=CCC2(CC1)CCC2.C1=CCC2(CC1)CCCCC2.C1=CCCC2(CC1)CCCC2
InChIInChI=1S/3C11H18.C10H14.C9H14.C9H12.C9H14.C8H12/c1-3-7-11(8-4-1)9-5-2-6-10-11;2*1-2-4-8-11(7-3-1)9-5-6-10-11;1-2-6-10(7-3-1)8-4-5-9-10;2*1-2-6-9(5-1)7-3-4-8-9;1-2-5-9(6-3-1)7-4-8-9;1-2-5-8(4-1)6-3-7-8/h1,3H,2,4-10H2;5-6H,1-4,7-10H2;1-2H,3-10H2;1-3,6H,4-5,7-9H2;1-2H,3-8H2;1-4H,5-8H2;1-2H,3-8H2;1-2H,3-7H2
InChIKeyUBPQTYZYRFXYEV-UHFFFAOYSA-N
XLogP25.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.82
LogP ≤ 525.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene with MolForge

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Related Compounds

ethane;spiro[3.5]non-7-ene
CID 144945784
spiro[4.7]dodec-2-ene
CID 173458049
spiro[4.6]undeca-2,8-diene
CID 123157263
spiro[4.6]undec-2-ene
CID 123632667
spiro[4.7]dodec-9-ene
CID 173457967
10,10-dimethylspiro[5.5]undec-3-ene
CID 141056322
cyclopentene;5,5-dimethylcyclohexa-1,3-diene
CID 173137560
spiro[2.4]hept-5-ene
CID 57429034
ethane;2-methylspiro[3.5]non-7-ene
CID 144979044
2-azaspiro[3.5]non-6-ene
CID 166146401
CID 163995556
CID 163995556
spiro[2.7]decane
CID 12657449

Frequently Asked Questions

What is the IUPAC name of spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene?
The IUPAC name of spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene (CID 161046908) is spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene.
What is the SMILES notation for spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene?
The canonical SMILES for spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene is C1=CCC2(C1)CC=CC2.C1=CCC2(C1)CCC2.C1=CCC2(C1)CCCC2.C1=CCC2(C1)CCCCCC2.C1=CCC2(C=C1)CCCC2.C1=CCC2(CC1)CCC2.C1=CCC2(CC1)CCCCC2.C1=CCCC2(CC1)CCCC2.
What is the InChIKey of spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene?
The InChIKey is UBPQTYZYRFXYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H18.C10H14.C9H14.C9H12.C9H14.C8H12/c1-3-7-11(8-4-1)9-5-2-6-10-11;2*1-2-4-8-11(7-3-1)9-5-6-10-11;1-2-6-10(7-3-1)8-4-5-9-10;2*1-2-6-9(5-1)7-3-4-8-9;1-2-5-9(6-3-1)7-4-8-9;1-2-5-8(4-1)6-3-7-8/h1,3H,2,4-10H2;5-6H,1-4,7-10H2;1-2H,3-10H2;1-3,6H,4-5,7-9H2;1-2H,3-8H2;1-4H,5-8H2;1-2H,3-8H2;1-2H,3-7H2.
What are the key properties of spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene?
spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene has a molecular weight of 1057.82 g/mol, XLogP of 25.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene is sourced from PubChem (CID 161046908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).