8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene

C32H42O3 — CID 139929074

IUPAC8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene
SMILESCC(OC1CC2CC1C1CC=CC21)(OC1CC2CC1C1CC=CC21)OC1CC2CC1C1CC=CC21
InChIInChI=1S/C32H42O3/c1-32(33-29-14-17-11-26(29)23-8-2-5-20(17)23,34-30-15-18-12-27(30)24-9-3-6-21(18)24)35-31-16-19-13-28(31)25-10-4-7-22(19)25/h2-7,17-31H,8-16H2,1H3
InChIKeyMDZTWTVFHWKNQP-UHFFFAOYSA-N
MW474.69 g/mol
LogP6.51
Rot. Bonds6

About 8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene

8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 139929074) has the molecular formula C32H42O3 and a molecular weight of 474.69 g/mol. Its IUPAC name is 8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene
PubChem CID139929074
Molecular FormulaC32H42O3
Molecular Weight474.69 g/mol
Exact Mass474.31
IUPAC Name8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene
SMILESCC(OC1CC2CC1C1CC=CC21)(OC1CC2CC1C1CC=CC21)OC1CC2CC1C1CC=CC21
InChIInChI=1S/C32H42O3/c1-32(33-29-14-17-11-26(29)23-8-2-5-20(17)23,34-30-15-18-12-27(30)24-9-3-6-21(18)24)35-31-16-19-13-28(31)25-10-4-7-22(19)25/h2-7,17-31H,8-16H2,1H3
InChIKeyMDZTWTVFHWKNQP-UHFFFAOYSA-N
XLogP6.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.69
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of 8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene (CID 139929074) is 8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for 8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for 8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene is CC(OC1CC2CC1C1CC=CC21)(OC1CC2CC1C1CC=CC21)OC1CC2CC1C1CC=CC21.
What is the InChIKey of 8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is MDZTWTVFHWKNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O3/c1-32(33-29-14-17-11-26(29)23-8-2-5-20(17)23,34-30-15-18-12-27(30)24-9-3-6-21(18)24)35-31-16-19-13-28(31)25-10-4-7-22(19)25/h2-7,17-31H,8-16H2,1H3.
What are the key properties of 8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene?
8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 474.69 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 139929074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).