[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane

C9H12 — CID 142446147

IUPAC[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane
SMILESC=C/C=C(\C=C)C1CC1
InChIInChI=1S/C9H12/c1-3-5-8(4-2)9-6-7-9/h3-5,9H,1-2,6-7H2/b8-5+
InChIKeyNRSKRRGZXNTINZ-VMPITWQZSA-N
MW120.19 g/mol
LogP2.69
Rot. Bonds3

About [(3E)-hexa-1,3,5-trien-3-yl]cyclopropane

[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane (PubChem CID 142446147) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is [(3E)-hexa-1,3,5-trien-3-yl]cyclopropane.

Molecular Properties

Compound Name[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane
PubChem CID142446147
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane
SMILESC=C/C=C(\C=C)C1CC1
InChIInChI=1S/C9H12/c1-3-5-8(4-2)9-6-7-9/h3-5,9H,1-2,6-7H2/b8-5+
InChIKeyNRSKRRGZXNTINZ-VMPITWQZSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E)-hexa-1,3,5-trien-3-yl]cyclopropane?
The IUPAC name of [(3E)-hexa-1,3,5-trien-3-yl]cyclopropane (CID 142446147) is [(3E)-hexa-1,3,5-trien-3-yl]cyclopropane.
What is the SMILES notation for [(3E)-hexa-1,3,5-trien-3-yl]cyclopropane?
The canonical SMILES for [(3E)-hexa-1,3,5-trien-3-yl]cyclopropane is C=C/C=C(\C=C)C1CC1.
What is the InChIKey of [(3E)-hexa-1,3,5-trien-3-yl]cyclopropane?
The InChIKey is NRSKRRGZXNTINZ-VMPITWQZSA-N. The full InChI is InChI=1S/C9H12/c1-3-5-8(4-2)9-6-7-9/h3-5,9H,1-2,6-7H2/b8-5+.
What are the key properties of [(3E)-hexa-1,3,5-trien-3-yl]cyclopropane?
[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane has a molecular weight of 120.19 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-hexa-1,3,5-trien-3-yl]cyclopropane is sourced from PubChem (CID 142446147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).