1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane

C13H22 — CID 90909412

IUPAC1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane
SMILESC=CCC(=CCC1CC1CC)CC
InChIInChI=1S/C13H22/c1-4-7-11(5-2)8-9-13-10-12(13)6-3/h4,8,12-13H,1,5-7,9-10H2,2-3H3
InChIKeyBPTVHWJAVUMOEE-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.34
Rot. Bonds6

About 1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane

1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane (PubChem CID 90909412) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane
PubChem CID90909412
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane
SMILESC=CCC(=CCC1CC1CC)CC
InChIInChI=1S/C13H22/c1-4-7-11(5-2)8-9-13-10-12(13)6-3/h4,8,12-13H,1,5-7,9-10H2,2-3H3
InChIKeyBPTVHWJAVUMOEE-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.34
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

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
Dihydromyrcene
CID 17090
alpha-Bisabolene
CID 86597
Dihydromyrcene, (+)-
CID 10887985
(+)-germacrene A
CID 9548705
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
(-)-Cembrene A
CID 5281384
2,6-Dimethyl-2-octene
CID 19974
alpha-Bisabolene, (E)-
CID 5315468

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane?
The IUPAC name of 1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane (CID 90909412) is 1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane.
What is the SMILES notation for 1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane?
The canonical SMILES for 1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane is C=CCC(=CCC1CC1CC)CC.
What is the InChIKey of 1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane?
The InChIKey is BPTVHWJAVUMOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-4-7-11(5-2)8-9-13-10-12(13)6-3/h4,8,12-13H,1,5-7,9-10H2,2-3H3.
What are the key properties of 1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane?
1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane has a molecular weight of 178.32 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane is sourced from PubChem (CID 90909412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).