(8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene

C24H36 — CID 142920022

IUPAC(8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene
SMILESC=C1C=C2CCCC3CC(=C)/C(=C\C)C3(C)CCC(C)C2(C)CC1
InChIInChI=1S/C24H36/c1-7-22-18(3)16-21-10-8-9-20-15-17(2)11-13-23(20,5)19(4)12-14-24(21,22)6/h7,15,19,21H,2-3,8-14,16H2,1,4-6H3/b22-7+
InChIKeySWTIELSDQNADOJ-QPJQQBGISA-N
MW324.55 g/mol
LogP7.40
Rot. Bonds

About (8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene

(8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene (PubChem CID 142920022) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is (8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene.

Molecular Properties

Compound Name(8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene
PubChem CID142920022
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name(8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene
SMILESC=C1C=C2CCCC3CC(=C)/C(=C\C)C3(C)CCC(C)C2(C)CC1
InChIInChI=1S/C24H36/c1-7-22-18(3)16-21-10-8-9-20-15-17(2)11-13-23(20,5)19(4)12-14-24(21,22)6/h7,15,19,21H,2-3,8-14,16H2,1,4-6H3/b22-7+
InChIKeySWTIELSDQNADOJ-QPJQQBGISA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene?
The IUPAC name of (8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene (CID 142920022) is (8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene.
What is the SMILES notation for (8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene?
The canonical SMILES for (8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene is C=C1C=C2CCCC3CC(=C)/C(=C\C)C3(C)CCC(C)C2(C)CC1.
What is the InChIKey of (8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene?
The InChIKey is SWTIELSDQNADOJ-QPJQQBGISA-N. The full InChI is InChI=1S/C24H36/c1-7-22-18(3)16-21-10-8-9-20-15-17(2)11-13-23(20,5)19(4)12-14-24(21,22)6/h7,15,19,21H,2-3,8-14,16H2,1,4-6H3/b22-7+.
What are the key properties of (8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene?
(8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene has a molecular weight of 324.55 g/mol, XLogP of 7.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene is sourced from PubChem (CID 142920022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).