2,3-dimethyl-1-propylcyclooctene

C13H24 — CID 91061584

IUPAC2,3-dimethyl-1-propylcyclooctene
SMILESCCCC1=C(C)C(C)CCCCC1
InChIInChI=1S/C13H24/c1-4-8-13-10-7-5-6-9-11(2)12(13)3/h11H,4-10H2,1-3H3
InChIKeyPLAXREXBURNDTF-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.70
Rot. Bonds2

About 2,3-dimethyl-1-propylcyclooctene

2,3-dimethyl-1-propylcyclooctene (PubChem CID 91061584) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,3-dimethyl-1-propylcyclooctene.

Molecular Properties

Compound Name2,3-dimethyl-1-propylcyclooctene
PubChem CID91061584
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,3-dimethyl-1-propylcyclooctene
SMILESCCCC1=C(C)C(C)CCCCC1
InChIInChI=1S/C13H24/c1-4-8-13-10-7-5-6-9-11(2)12(13)3/h11H,4-10H2,1-3H3
InChIKeyPLAXREXBURNDTF-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.70
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

Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
beta-Guaiene
CID 15560252
1,4-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene
CID 6949
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
CID 10354
2,4-Dimethyl-2-decene
CID 522542
1-Methyl-4-(6-methylhept-6-en-2-yl)cyclohexa-1,4-diene
CID 5316213
cis-beta-Guaiene
CID 15560253
(+)-p-Menth-3-ene
CID 23616903
1-Menthene
CID 25445
2,3,4,5,6,7,8,9,10,11,12,13-Dodecahydro-2-methyl-1H-cyclopentacyclododecene
CID 14609946
(1S,4R)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene
CID 91746511
2,6-Dimethyl-2-dodecene
CID 528472

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propylcyclooctene?
The IUPAC name of 2,3-dimethyl-1-propylcyclooctene (CID 91061584) is 2,3-dimethyl-1-propylcyclooctene.
What is the SMILES notation for 2,3-dimethyl-1-propylcyclooctene?
The canonical SMILES for 2,3-dimethyl-1-propylcyclooctene is CCCC1=C(C)C(C)CCCCC1.
What is the InChIKey of 2,3-dimethyl-1-propylcyclooctene?
The InChIKey is PLAXREXBURNDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-8-13-10-7-5-6-9-11(2)12(13)3/h11H,4-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-propylcyclooctene?
2,3-dimethyl-1-propylcyclooctene has a molecular weight of 180.33 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-propylcyclooctene is sourced from PubChem (CID 91061584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).