1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene

C13H20 — CID 91142850

IUPAC1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene
SMILESC=CCC1=C(C)CCCC(C)C=C1
InChIInChI=1S/C13H20/c1-4-6-13-10-9-11(2)7-5-8-12(13)3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyAMMGOERURFXCEX-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds2

About 1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene

1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene (PubChem CID 91142850) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene.

Molecular Properties

Compound Name1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene
PubChem CID91142850
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene
SMILESC=CCC1=C(C)CCCC(C)C=C1
InChIInChI=1S/C13H20/c1-4-6-13-10-9-11(2)7-5-8-12(13)3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyAMMGOERURFXCEX-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

(1S)-3-methyl-2-prop-2-enylcyclopent-2-en-1-ol
CID 173230826
ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene
CID 143506465
4-methylcyclooct-2-en-1-one
CID 91000254
1-(ethenoxymethyl)-3-methylcyclohexene
CID 102248116
1-methyl-2-prop-2-enylbenzene;2-methyl-3-prop-2-enylbicyclo[4.1.0]hepta-2,4-diene
CID 143183933
1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene
CID 163586300
N-(2,6-dimethylcyclohexen-1-yl)methanimine
CID 163586439
(1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene
CID 173143021
1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene
CID 145377797
(E)-3-(6-ethenyl-2-methylcyclohexen-1-yl)-2-methylprop-2-enenitrile
CID 167071548
1,6-bis(ethenyl)-2-ethyl-5-methylcyclohexa-1,3-diene
CID 142874815
2-prop-2-enylcyclopentene-1-thiol
CID 173055096

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene?
The IUPAC name of 1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene (CID 91142850) is 1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene.
What is the SMILES notation for 1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene?
The canonical SMILES for 1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene is C=CCC1=C(C)CCCC(C)C=C1.
What is the InChIKey of 1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene?
The InChIKey is AMMGOERURFXCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-4-6-13-10-9-11(2)7-5-8-12(13)3/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of 1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene?
1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene has a molecular weight of 176.30 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene is sourced from PubChem (CID 91142850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).