[(3E)-hexa-3,5-dien-3-yl]cyclopropane

C9H14 — CID 13014702

IUPAC[(3E)-hexa-3,5-dien-3-yl]cyclopropane
SMILESC=C/C=C(\CC)C1CC1
InChIInChI=1S/C9H14/c1-3-5-8(4-2)9-6-7-9/h3,5,9H,1,4,6-7H2,2H3/b8-5+
InChIKeyBUYOWVXIPMTRDQ-VMPITWQZSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds3

About [(3E)-hexa-3,5-dien-3-yl]cyclopropane

[(3E)-hexa-3,5-dien-3-yl]cyclopropane (PubChem CID 13014702) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is [(3E)-hexa-3,5-dien-3-yl]cyclopropane.

Molecular Properties

Compound Name[(3E)-hexa-3,5-dien-3-yl]cyclopropane
PubChem CID13014702
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name[(3E)-hexa-3,5-dien-3-yl]cyclopropane
SMILESC=C/C=C(\CC)C1CC1
InChIInChI=1S/C9H14/c1-3-5-8(4-2)9-6-7-9/h3,5,9H,1,4,6-7H2,2H3/b8-5+
InChIKeyBUYOWVXIPMTRDQ-VMPITWQZSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
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

6-chloroocta-3,5,7-trien-3-ylcyclopropane
CID 123269942
[(3E)-6-methylhepta-3,5-dien-3-yl]cyclohexane
CID 142840542
(2E,4E)-5-cyclohexyl-2-ethenylhepta-2,4-dienamide
CID 130460991
1-cyclopropylbuta-1,3-dienylcyclopropane
CID 12578306
[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane
CID 142446147
4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine
CID 155373344
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane
CID 156863517
[(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane
CID 143963194
(3Z,5Z)-4,6-dimethylocta-1,3,5-triene
CID 142052852
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962

Frequently Asked Questions

What is the IUPAC name of [(3E)-hexa-3,5-dien-3-yl]cyclopropane?
The IUPAC name of [(3E)-hexa-3,5-dien-3-yl]cyclopropane (CID 13014702) is [(3E)-hexa-3,5-dien-3-yl]cyclopropane.
What is the SMILES notation for [(3E)-hexa-3,5-dien-3-yl]cyclopropane?
The canonical SMILES for [(3E)-hexa-3,5-dien-3-yl]cyclopropane is C=C/C=C(\CC)C1CC1.
What is the InChIKey of [(3E)-hexa-3,5-dien-3-yl]cyclopropane?
The InChIKey is BUYOWVXIPMTRDQ-VMPITWQZSA-N. The full InChI is InChI=1S/C9H14/c1-3-5-8(4-2)9-6-7-9/h3,5,9H,1,4,6-7H2,2H3/b8-5+.
What are the key properties of [(3E)-hexa-3,5-dien-3-yl]cyclopropane?
[(3E)-hexa-3,5-dien-3-yl]cyclopropane has a molecular weight of 122.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-hexa-3,5-dien-3-yl]cyclopropane is sourced from PubChem (CID 13014702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).