cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane

C98H224 — CID 159907930

IUPACcyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane
SMILESC1=CCC1.C1=CCCC1.C1=CCCCC1.C1=CCCCCC1.C1=CCCCCCC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C8H16.C8H14.C7H14.C7H12.C6H12.C6H10.C5H10.C5H8.C4H8.C4H6.19C2H6/c2*1-2-4-6-8-7-5-3-1;2*1-2-4-6-7-5-3-1;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-4-3-1;19*1-2/h1-8H2;1-2H,3-8H2;1-7H2;1-2H,3-7H2;1-6H2;1-2H,3-6H2;1-5H2;1-2H,3-5H2;1-4H2;1-2H,3-4H2;19*1-2H3
InChIKeyNWURPOPMOVNRAF-UHFFFAOYSA-N
MW1402.87 g/mol
LogP41.78
Rot. Bonds

About cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane

cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane (PubChem CID 159907930) has the molecular formula C98H224 and a molecular weight of 1402.87 g/mol. Its IUPAC name is cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane.

Molecular Properties

Compound Namecyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane
PubChem CID159907930
Molecular FormulaC98H224
Molecular Weight1402.87 g/mol
Exact Mass1401.75
IUPAC Namecyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane
SMILESC1=CCC1.C1=CCCC1.C1=CCCCC1.C1=CCCCCC1.C1=CCCCCCC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C8H16.C8H14.C7H14.C7H12.C6H12.C6H10.C5H10.C5H8.C4H8.C4H6.19C2H6/c2*1-2-4-6-8-7-5-3-1;2*1-2-4-6-7-5-3-1;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-4-3-1;19*1-2/h1-8H2;1-2H,3-8H2;1-7H2;1-2H,3-7H2;1-6H2;1-2H,3-6H2;1-5H2;1-2H,3-5H2;1-4H2;1-2H,3-4H2;19*1-2H3
InChIKeyNWURPOPMOVNRAF-UHFFFAOYSA-N
XLogP41.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001402.87
LogP ≤ 541.78
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

cyclotetradeca-1,6-diene
CID 90733243
(1E)-cycloicosa-1,6-diene
CID 173214809
cyclopentadecene
CID 5463009
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
(1E)-cyclooctadeca-1,8-diene
CID 173129359
cyclopentadeca-1,7-diene
CID 154173092
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
(5E)-cyclotetradeca-1,5-diene
CID 173030551
(1E,5E)-cyclooctadeca-1,5-diene
CID 143896645
cycloheptene;dihydrochloride
CID 70441281

Frequently Asked Questions

What is the IUPAC name of cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane?
The IUPAC name of cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane (CID 159907930) is cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane.
What is the SMILES notation for cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane?
The canonical SMILES for cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane is C1=CCC1.C1=CCCC1.C1=CCCCC1.C1=CCCCCC1.C1=CCCCCCC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane?
The InChIKey is NWURPOPMOVNRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C8H14.C7H14.C7H12.C6H12.C6H10.C5H10.C5H8.C4H8.C4H6.19C2H6/c2*1-2-4-6-8-7-5-3-1;2*1-2-4-6-7-5-3-1;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-4-3-1;19*1-2/h1-8H2;1-2H,3-8H2;1-7H2;1-2H,3-7H2;1-6H2;1-2H,3-6H2;1-5H2;1-2H,3-5H2;1-4H2;1-2H,3-4H2;19*1-2H3.
What are the key properties of cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane?
cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane has a molecular weight of 1402.87 g/mol, XLogP of 41.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane is sourced from PubChem (CID 159907930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).