(1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene

C20H32 — CID 102028748

IUPAC(1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene
SMILESCCCC1=C(CCC)/C=C\C(CCC)=C(CCC)/C=C\1
InChIInChI=1S/C20H32/c1-5-9-17-13-14-19(11-7-3)20(12-8-4)16-15-18(17)10-6-2/h13-16H,5-12H2,1-4H3/b14-13-,16-15-,17-13-,18-15-,18-17-,19-14-,20-16-,20-19-
InChIKeyPTJDDYPZXIOCBX-IRDBXVDASA-N
MW272.48 g/mol
LogP6.91
Rot. Bonds8

About (1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene

(1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene (PubChem CID 102028748) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene
PubChem CID102028748
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene
SMILESCCCC1=C(CCC)/C=C\C(CCC)=C(CCC)/C=C\1
InChIInChI=1S/C20H32/c1-5-9-17-13-14-19(11-7-3)20(12-8-4)16-15-18(17)10-6-2/h13-16H,5-12H2,1-4H3/b14-13-,16-15-,17-13-,18-15-,18-17-,19-14-,20-16-,20-19-
InChIKeyPTJDDYPZXIOCBX-IRDBXVDASA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dipropylcyclohepta-1,3-diene
CID 175557137
calcium bis(2-propylcyclohepta-1,3,5-trien-1-olate)
CID 140751950
5-pentyl-1,2-dipropylcyclopenta-1,3-diene
CID 174262023
2,4-dipropyl-6aH-cyclopenta[b]thiophene
CID 90946063
2,3-dipropylcyclopenta-2,4-diene-1-sulfonic acid
CID 178075829
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol
CID 141264244
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane
CID 123161934
6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene
CID 141414600

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene?
The IUPAC name of (1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene (CID 102028748) is (1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene.
What is the SMILES notation for (1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene?
The canonical SMILES for (1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene is CCCC1=C(CCC)/C=C\C(CCC)=C(CCC)/C=C\1.
What is the InChIKey of (1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene?
The InChIKey is PTJDDYPZXIOCBX-IRDBXVDASA-N. The full InChI is InChI=1S/C20H32/c1-5-9-17-13-14-19(11-7-3)20(12-8-4)16-15-18(17)10-6-2/h13-16H,5-12H2,1-4H3/b14-13-,16-15-,17-13-,18-15-,18-17-,19-14-,20-16-,20-19-.
What are the key properties of (1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene?
(1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene has a molecular weight of 272.48 g/mol, XLogP of 6.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 102028748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).