(2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene

C17H28 — CID 140611801

IUPAC(2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene
SMILESC1=C\C2CCCCCC(/C=C\C/1)CCCCC2
InChIInChI=1S/C17H28/c1-4-10-16-12-6-2-7-13-17(11-5-1)15-9-3-8-14-16/h4-5,10-11,16-17H,1-3,6-9,12-15H2/b10-4-,11-5-
InChIKeyIBBAEHJNDJQQHD-GGXLTUIBSA-N
MW232.41 g/mol
LogP5.65
Rot. Bonds

About (2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene

(2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene (PubChem CID 140611801) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is (2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene.

Molecular Properties

Compound Name(2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene
PubChem CID140611801
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name(2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene
SMILESC1=C\C2CCCCCC(/C=C\C/1)CCCCC2
InChIInChI=1S/C17H28/c1-4-10-16-12-6-2-7-13-17(11-5-1)15-9-3-8-14-16/h4-5,10-11,16-17H,1-3,6-9,12-15H2/b10-4-,11-5-
InChIKeyIBBAEHJNDJQQHD-GGXLTUIBSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(19Z)-bicyclo[9.7.2]icos-19-ene
CID 177397060
bicyclo[5.2.2]undec-8-ene
CID 71397836
bicyclo[8.3.1]tetradec-11-ene
CID 175573202
bicyclo[2.2.2]oct-2-ene
CID 13608
(1Z)-3-methylcyclodecene
CID 6430931
3-methylcycloundecene
CID 54531806
(1Z)-3-methylcyclooctene
CID 5352586
(1E)-3-methylcyclodecene
CID 5352563
(1Z)-3-methylcyclopentadecene
CID 140520640
cyclopropene
CID 141033262
cyclohexa-2,5-dien-1-ylsilane
CID 91826054
bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)
CID 173404323

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene?
The IUPAC name of (2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene (CID 140611801) is (2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene.
What is the SMILES notation for (2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene?
The canonical SMILES for (2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene is C1=C\C2CCCCCC(/C=C\C/1)CCCCC2.
What is the InChIKey of (2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene?
The InChIKey is IBBAEHJNDJQQHD-GGXLTUIBSA-N. The full InChI is InChI=1S/C17H28/c1-4-10-16-12-6-2-7-13-17(11-5-1)15-9-3-8-14-16/h4-5,10-11,16-17H,1-3,6-9,12-15H2/b10-4-,11-5-.
What are the key properties of (2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene?
(2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene has a molecular weight of 232.41 g/mol, XLogP of 5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-bicyclo[5.5.5]heptadeca-2,5-diene is sourced from PubChem (CID 140611801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).