(2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene

C38H40 — CID 5380034

IUPAC(2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene
SMILESC/C1=C(\C)c2ccc(cc2)CCCc2ccc(cc2)/C(C)=C(/C)c2ccc(cc2)CCCc2ccc1cc2
InChIInChI=1S/C38H40/c1-27-28(2)36-21-13-32(14-22-36)8-6-10-34-17-25-38(26-18-34)30(4)29(3)37-23-15-33(16-24-37)9-5-7-31-11-19-35(27)20-12-31/h11-26H,5-10H2,1-4H3/b28-27-,30-29-
InChIKeyFKFNRZKLEXIIEK-HZUKNNFDSA-N
MW496.74 g/mol
LogP10.25
Rot. Bonds

About (2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene

(2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene (PubChem CID 5380034) has the molecular formula C38H40 and a molecular weight of 496.74 g/mol. Its IUPAC name is (2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene.

Molecular Properties

Compound Name(2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene
PubChem CID5380034
Molecular FormulaC38H40
Molecular Weight496.74 g/mol
Exact Mass496.31
IUPAC Name(2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene
SMILESC/C1=C(\C)c2ccc(cc2)CCCc2ccc(cc2)/C(C)=C(/C)c2ccc(cc2)CCCc2ccc1cc2
InChIInChI=1S/C38H40/c1-27-28(2)36-21-13-32(14-22-36)8-6-10-34-17-25-38(26-18-34)30(4)29(3)37-23-15-33(16-24-37)9-5-7-31-11-19-35(27)20-12-31/h11-26H,5-10H2,1-4H3/b28-27-,30-29-
InChIKeyFKFNRZKLEXIIEK-HZUKNNFDSA-N
XLogP10.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.74
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene?
The IUPAC name of (2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene (CID 5380034) is (2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene.
What is the SMILES notation for (2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene?
The canonical SMILES for (2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene is C/C1=C(\C)c2ccc(cc2)CCCc2ccc(cc2)/C(C)=C(/C)c2ccc(cc2)CCCc2ccc1cc2.
What is the InChIKey of (2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene?
The InChIKey is FKFNRZKLEXIIEK-HZUKNNFDSA-N. The full InChI is InChI=1S/C38H40/c1-27-28(2)36-21-13-32(14-22-36)8-6-10-34-17-25-38(26-18-34)30(4)29(3)37-23-15-33(16-24-37)9-5-7-31-11-19-35(27)20-12-31/h11-26H,5-10H2,1-4H3/b28-27-,30-29-.
What are the key properties of (2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene?
(2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene has a molecular weight of 496.74 g/mol, XLogP of 10.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,15Z)-2,3,15,16-tetramethylpentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene is sourced from PubChem (CID 5380034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).