ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene

C24H28 — CID 143323346

IUPACethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene
SMILESC1=C2C3=C(/C=C\C=C/C=C\3)C3=C2/C(=C\C=C/C=C\3)CC1.CC.CC
InChIInChI=1S/C20H16.2C2H6/c1-2-6-12-17-16(11-5-1)18-13-7-3-4-9-15-10-8-14-19(17)20(15)18;2*1-2/h1-7,9,11-14H,8,10H2;2*1-2H3/b2-1-,4-3-,5-1-,6-2-,7-3-,9-4-,11-5-,12-6-,13-7-,15-9-,16-11+,17-12+,18-13-;;
InChIKeyRDAFMTHPUYZNCB-YJJHOYOHSA-N
MW316.49 g/mol
LogP7.10
Rot. Bonds

About ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene

ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene (PubChem CID 143323346) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene.

Molecular Properties

Compound Nameethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene
PubChem CID143323346
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Nameethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene
SMILESC1=C2C3=C(/C=C\C=C/C=C\3)C3=C2/C(=C\C=C/C=C\3)CC1.CC.CC
InChIInChI=1S/C20H16.2C2H6/c1-2-6-12-17-16(11-5-1)18-13-7-3-4-9-15-10-8-14-19(17)20(15)18;2*1-2/h1-7,9,11-14H,8,10H2;2*1-2H3/b2-1-,4-3-,5-1-,6-2-,7-3-,9-4-,11-5-,12-6-,13-7-,15-9-,16-11+,17-12+,18-13-;;
InChIKeyRDAFMTHPUYZNCB-YJJHOYOHSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene?
The IUPAC name of ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene (CID 143323346) is ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene.
What is the SMILES notation for ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene?
The canonical SMILES for ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene is C1=C2C3=C(/C=C\C=C/C=C\3)C3=C2/C(=C\C=C/C=C\3)CC1.CC.CC.
What is the InChIKey of ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene?
The InChIKey is RDAFMTHPUYZNCB-YJJHOYOHSA-N. The full InChI is InChI=1S/C20H16.2C2H6/c1-2-6-12-17-16(11-5-1)18-13-7-3-4-9-15-10-8-14-19(17)20(15)18;2*1-2/h1-7,9,11-14H,8,10H2;2*1-2H3/b2-1-,4-3-,5-1-,6-2-,7-3-,9-4-,11-5-,12-6-,13-7-,15-9-,16-11+,17-12+,18-13-;;.
What are the key properties of ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene?
ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene has a molecular weight of 316.49 g/mol, XLogP of 7.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,7Z,9Z,13Z,15Z,17Z)-tetracyclo[9.8.1.05,20.012,19]icosa-1,5,7,9,11(20),12(19),13,15,17-nonaene is sourced from PubChem (CID 143323346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).