1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene

C32H40 — CID 102588780

IUPAC1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene
SMILESC1CC1C1=C(C2CC2)C2(C3CC3)C1(C1CC1)C1(C3CC3)C(C3CC3)=C(C3CC3)C21C1CC1
InChIInChI=1S/C32H40/c1-2-17(1)25-26(18-3-4-18)30(22-11-12-22)29(25,21-9-10-21)31(23-13-14-23)27(19-5-6-19)28(20-7-8-20)32(30,31)24-15-16-24/h17-24H,1-16H2
InChIKeyPHONCGZYNBOIHH-UHFFFAOYSA-N
MW424.67 g/mol
LogP7.85
Rot. Bonds8

About 1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene

1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene (PubChem CID 102588780) has the molecular formula C32H40 and a molecular weight of 424.67 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene
PubChem CID102588780
Molecular FormulaC32H40
Molecular Weight424.67 g/mol
Exact Mass424.31
IUPAC Name1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene
SMILESC1CC1C1=C(C2CC2)C2(C3CC3)C1(C1CC1)C1(C3CC3)C(C3CC3)=C(C3CC3)C21C1CC1
InChIInChI=1S/C32H40/c1-2-17(1)25-26(18-3-4-18)30(22-11-12-22)29(25,21-9-10-21)31(23-13-14-23)27(19-5-6-19)28(20-7-8-20)32(30,31)24-15-16-24/h17-24H,1-16H2
InChIKeyPHONCGZYNBOIHH-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 57.85
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

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CID 46919073
1,3,4,5,7,8-Hexatert-butyltricyclo[4.2.0.02,5]octa-3,7-diene
CID 134978478
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CID 91216386
2'-(2,3-Dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
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CID 91355583
CID 91355583
4-(3-Ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane]
CID 91414169
2-[2-(Cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane
CID 123170683
2-[2-[1-(2-Butan-2-yl-4-methyl-1-bicyclo[1.1.0]butanyl)propyl]-4,7,8,10-tetramethylpentadeca-1,10-dienyl]-5-ethyl-2,6-dimethylspiro[2.3]hexane
CID 123189149
1-[6-Cyclobutyl-6-[cyclopropylidene-[1-[(3-methylcyclobutyl)methyl]cyclopropyl]methyl]-2,8,8-trimethyl-1-(2-methylcyclobutyl)-3-[(3-methylcyclobutyl)methyl]nonan-4-yl]-3-methylcyclobutane
CID 123254894
1-[1-Cyclopropylidene-6-ethyl-3,5,7-trimethyl-2-(2-methylbutyl)-2-(3-methylpentan-3-yl)nonyl]-2-(3-ethyl-4,5-dimethylhexyl)cyclobutane
CID 123267491

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene?
The IUPAC name of 1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene (CID 102588780) is 1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene is C1CC1C1=C(C2CC2)C2(C3CC3)C1(C1CC1)C1(C3CC3)C(C3CC3)=C(C3CC3)C21C1CC1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene?
The InChIKey is PHONCGZYNBOIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40/c1-2-17(1)25-26(18-3-4-18)30(22-11-12-22)29(25,21-9-10-21)31(23-13-14-23)27(19-5-6-19)28(20-7-8-20)32(30,31)24-15-16-24/h17-24H,1-16H2.
What are the key properties of 1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene?
1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene has a molecular weight of 424.67 g/mol, XLogP of 7.85, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene is sourced from PubChem (CID 102588780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).