[(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane

C14H20 — CID 12823800

IUPAC[(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane
SMILESC/C(=C\C=C\C=C(/C)C1CC1)C1CC1
InChIInChI=1S/C14H20/c1-11(13-7-8-13)5-3-4-6-12(2)14-9-10-14/h3-6,13-14H,7-10H2,1-2H3/b4-3+,11-5+,12-6+
InChIKeyIQCACRRJQKRTHP-QUSYCGCJSA-N
MW188.31 g/mol
LogP4.26
Rot. Bonds4

About [(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane

[(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane (PubChem CID 12823800) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is [(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane.

Molecular Properties

Compound Name[(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane
PubChem CID12823800
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name[(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane
SMILESC/C(=C\C=C\C=C(/C)C1CC1)C1CC1
InChIInChI=1S/C14H20/c1-11(13-7-8-13)5-3-4-6-12(2)14-9-10-14/h3-6,13-14H,7-10H2,1-2H3/b4-3+,11-5+,12-6+
InChIKeyIQCACRRJQKRTHP-QUSYCGCJSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.26
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 [(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane?
The IUPAC name of [(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane (CID 12823800) is [(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane.
What is the SMILES notation for [(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane?
The canonical SMILES for [(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane is C/C(=C\C=C\C=C(/C)C1CC1)C1CC1.
What is the InChIKey of [(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane?
The InChIKey is IQCACRRJQKRTHP-QUSYCGCJSA-N. The full InChI is InChI=1S/C14H20/c1-11(13-7-8-13)5-3-4-6-12(2)14-9-10-14/h3-6,13-14H,7-10H2,1-2H3/b4-3+,11-5+,12-6+.
What are the key properties of [(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane?
[(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane has a molecular weight of 188.31 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E,6E)-7-cyclopropylocta-2,4,6-trien-2-yl]cyclopropane is sourced from PubChem (CID 12823800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).