1-cyclooctylcycloocta-1,3-diene

C16H26 — CID 154370011

IUPAC1-cyclooctylcycloocta-1,3-diene
SMILESC1=CCCCCC(C2CCCCCCC2)=C1
InChIInChI=1S/C16H26/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16/h3,7,11,16H,1-2,4-6,8-10,12-14H2
InChIKeyCJGYJNZYOFIEPG-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.40
Rot. Bonds1

About 1-cyclooctylcycloocta-1,3-diene

1-cyclooctylcycloocta-1,3-diene (PubChem CID 154370011) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-cyclooctylcycloocta-1,3-diene.

Molecular Properties

Compound Name1-cyclooctylcycloocta-1,3-diene
PubChem CID154370011
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-cyclooctylcycloocta-1,3-diene
SMILESC1=CCCCCC(C2CCCCCCC2)=C1
InChIInChI=1S/C16H26/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16/h3,7,11,16H,1-2,4-6,8-10,12-14H2
InChIKeyCJGYJNZYOFIEPG-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 159396232
4-cyclopenta-1,3-dien-1-ylcyclooctene
CID 163506625
1-cyclodeca-1,3-dien-1-ylcyclodeca-1,3-diene
CID 54521470
3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
CID 90700641
(3aZ,5E)-1-ethyl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene
CID 173268331
(3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene
CID 173268473
3-propan-2-yl-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene
CID 91350597
2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan
CID 67599201
(1Z,3Z)-1-methylcyclodeca-1,3-diene
CID 142058765
1-methylcyclodeca-1,3-diene
CID 123810679

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctylcycloocta-1,3-diene?
The IUPAC name of 1-cyclooctylcycloocta-1,3-diene (CID 154370011) is 1-cyclooctylcycloocta-1,3-diene.
What is the SMILES notation for 1-cyclooctylcycloocta-1,3-diene?
The canonical SMILES for 1-cyclooctylcycloocta-1,3-diene is C1=CCCCCC(C2CCCCCCC2)=C1.
What is the InChIKey of 1-cyclooctylcycloocta-1,3-diene?
The InChIKey is CJGYJNZYOFIEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16/h3,7,11,16H,1-2,4-6,8-10,12-14H2.
What are the key properties of 1-cyclooctylcycloocta-1,3-diene?
1-cyclooctylcycloocta-1,3-diene has a molecular weight of 218.38 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctylcycloocta-1,3-diene is sourced from PubChem (CID 154370011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).