3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene

C33H46O — CID 68518866

IUPAC3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene
SMILESC=CCOC1(CC=C)C(CC=C)=C(CC=C)C(CC=C)C(CC=C)(CC=C)C1(CC=C)CC=C
InChIInChI=1S/C33H46O/c1-10-19-28-29(20-11-2)31(22-13-4,23-14-5)32(24-15-6,25-16-7)33(26-17-8,34-27-18-9)30(28)21-12-3/h10-18,29H,1-9,19-27H2
InChIKeyTVRVINYIPBNOMM-UHFFFAOYSA-N
MW458.73 g/mol
LogP9.44
Rot. Bonds19

About 3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene

3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene (PubChem CID 68518866) has the molecular formula C33H46O and a molecular weight of 458.73 g/mol. Its IUPAC name is 3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene.

Molecular Properties

Compound Name3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene
PubChem CID68518866
Molecular FormulaC33H46O
Molecular Weight458.73 g/mol
Exact Mass458.35
IUPAC Name3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene
SMILESC=CCOC1(CC=C)C(CC=C)=C(CC=C)C(CC=C)C(CC=C)(CC=C)C1(CC=C)CC=C
InChIInChI=1S/C33H46O/c1-10-19-28-29(20-11-2)31(22-13-4,23-14-5)32(24-15-6,25-16-7)33(26-17-8,34-27-18-9)30(28)21-12-3/h10-18,29H,1-9,19-27H2
InChIKeyTVRVINYIPBNOMM-UHFFFAOYSA-N
XLogP9.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.73
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene?
The IUPAC name of 3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene (CID 68518866) is 3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene.
What is the SMILES notation for 3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene?
The canonical SMILES for 3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene is C=CCOC1(CC=C)C(CC=C)=C(CC=C)C(CC=C)C(CC=C)(CC=C)C1(CC=C)CC=C.
What is the InChIKey of 3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene?
The InChIKey is TVRVINYIPBNOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46O/c1-10-19-28-29(20-11-2)31(22-13-4,23-14-5)32(24-15-6,25-16-7)33(26-17-8,34-27-18-9)30(28)21-12-3/h10-18,29H,1-9,19-27H2.
What are the key properties of 3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene?
3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene has a molecular weight of 458.73 g/mol, XLogP of 9.44, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-1,2,3,4,4,5,5,6-octakis(prop-2-enyl)cyclohexene is sourced from PubChem (CID 68518866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).