cyclopentene;5,5-dimethylcyclohexa-1,3-diene

C13H20 — CID 173137560

IUPACcyclopentene;5,5-dimethylcyclohexa-1,3-diene
SMILESC1=CCCC1.CC1(C)C=CC=CC1
InChIInChI=1S/C8H12.C5H8/c1-8(2)6-4-3-5-7-8;1-2-4-5-3-1/h3-6H,7H2,1-2H3;1-2H,3-5H2
InChIKeyWRILURCLEXIYSK-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds

About cyclopentene;5,5-dimethylcyclohexa-1,3-diene

cyclopentene;5,5-dimethylcyclohexa-1,3-diene (PubChem CID 173137560) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is cyclopentene;5,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Namecyclopentene;5,5-dimethylcyclohexa-1,3-diene
PubChem CID173137560
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Namecyclopentene;5,5-dimethylcyclohexa-1,3-diene
SMILESC1=CCCC1.CC1(C)C=CC=CC1
InChIInChI=1S/C8H12.C5H8/c1-8(2)6-4-3-5-7-8;1-2-4-5-3-1/h3-6H,7H2,1-2H3;1-2H,3-5H2
InChIKeyWRILURCLEXIYSK-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.26
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

5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
CID 175128214
CID 163995556
CID 163995556
(1Z,3E,7E)-cycloundeca-1,3,7-triene
CID 173030528
(1E,7E)-cycloundeca-1,3,7-triene
CID 173030664
3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene
CID 161287849
(1E)-cyclotrideca-1,3,8-triene
CID 91284250
cyclotrideca-1,3,8-triene
CID 90959908
3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene
CID 159502022
(1E,3Z,8E,10Z)-cyclotetradeca-1,3,8,10-tetraene
CID 173030963
(1Z,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17Z,19Z)-cyclopentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 173020880
(1Z,3E,5Z)-cyclonona-1,3,5-triene
CID 12652504
(1Z,3E,5E,7Z,9E)-cyclotrideca-1,3,5,7,9-pentaene
CID 143640992

Frequently Asked Questions

What is the IUPAC name of cyclopentene;5,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of cyclopentene;5,5-dimethylcyclohexa-1,3-diene (CID 173137560) is cyclopentene;5,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for cyclopentene;5,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for cyclopentene;5,5-dimethylcyclohexa-1,3-diene is C1=CCCC1.CC1(C)C=CC=CC1.
What is the InChIKey of cyclopentene;5,5-dimethylcyclohexa-1,3-diene?
The InChIKey is WRILURCLEXIYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C5H8/c1-8(2)6-4-3-5-7-8;1-2-4-5-3-1/h3-6H,7H2,1-2H3;1-2H,3-5H2.
What are the key properties of cyclopentene;5,5-dimethylcyclohexa-1,3-diene?
cyclopentene;5,5-dimethylcyclohexa-1,3-diene has a molecular weight of 176.30 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentene;5,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 173137560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).