6-chloroocta-3,5,7-trien-3-ylcyclopropane

C11H15Cl — CID 123269942

IUPAC6-chloroocta-3,5,7-trien-3-ylcyclopropane
SMILESC=CC(Cl)=CC=C(CC)C1CC1
InChIInChI=1S/C11H15Cl/c1-3-9(10-5-6-10)7-8-11(12)4-2/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyUFHOPFXMOXUGSC-UHFFFAOYSA-N
MW182.69 g/mol
LogP4.04
Rot. Bonds4

About 6-chloroocta-3,5,7-trien-3-ylcyclopropane

6-chloroocta-3,5,7-trien-3-ylcyclopropane (PubChem CID 123269942) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is 6-chloroocta-3,5,7-trien-3-ylcyclopropane.

Molecular Properties

Compound Name6-chloroocta-3,5,7-trien-3-ylcyclopropane
PubChem CID123269942
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name6-chloroocta-3,5,7-trien-3-ylcyclopropane
SMILESC=CC(Cl)=CC=C(CC)C1CC1
InChIInChI=1S/C11H15Cl/c1-3-9(10-5-6-10)7-8-11(12)4-2/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyUFHOPFXMOXUGSC-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(3E)-hexa-3,5-dien-3-yl]cyclopropane
CID 13014702
(2E,4E)-5-cyclohexyl-2-ethenylhepta-2,4-dienamide
CID 130460991
[(3E)-6-methylhepta-3,5-dien-3-yl]cyclohexane
CID 142840542
1-[4-[(3E,5E)-6-chlorohepta-3,5-dien-3-yl]cyclohexyl]-4-ethylcycloheptane
CID 129130549
(3E,5Z)-3-chloroocta-1,3,5-triene
CID 143682156
(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane
CID 143902080
(2E,4E)-5-chloro-2-methylhepta-2,4,6-triene-1-sulfinic acid
CID 142862418
(3E)-3-chlorohepta-1,3-diene
CID 88589148
[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane
CID 142446147
2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane
CID 156863517
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
1-(3-methylcyclopentyl)prop-2-en-1-one
CID 21394641

Frequently Asked Questions

What is the IUPAC name of 6-chloroocta-3,5,7-trien-3-ylcyclopropane?
The IUPAC name of 6-chloroocta-3,5,7-trien-3-ylcyclopropane (CID 123269942) is 6-chloroocta-3,5,7-trien-3-ylcyclopropane.
What is the SMILES notation for 6-chloroocta-3,5,7-trien-3-ylcyclopropane?
The canonical SMILES for 6-chloroocta-3,5,7-trien-3-ylcyclopropane is C=CC(Cl)=CC=C(CC)C1CC1.
What is the InChIKey of 6-chloroocta-3,5,7-trien-3-ylcyclopropane?
The InChIKey is UFHOPFXMOXUGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl/c1-3-9(10-5-6-10)7-8-11(12)4-2/h4,7-8,10H,2-3,5-6H2,1H3.
What are the key properties of 6-chloroocta-3,5,7-trien-3-ylcyclopropane?
6-chloroocta-3,5,7-trien-3-ylcyclopropane has a molecular weight of 182.69 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroocta-3,5,7-trien-3-ylcyclopropane is sourced from PubChem (CID 123269942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).