[(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane

C12H18 — CID 178103964

IUPAC[(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane
SMILESC/C=C\C=C/C(C)=C(/C)C1CC1
InChIInChI=1S/C12H18/c1-4-5-6-7-10(2)11(3)12-8-9-12/h4-7,12H,8-9H2,1-3H3/b5-4-,7-6-,11-10-
InChIKeySQPBOPVDWODOJC-DZRQJSDLSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds3

About [(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane

[(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane (PubChem CID 178103964) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is [(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane.

Molecular Properties

Compound Name[(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane
PubChem CID178103964
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name[(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane
SMILESC/C=C\C=C/C(C)=C(/C)C1CC1
InChIInChI=1S/C12H18/c1-4-5-6-7-10(2)11(3)12-8-9-12/h4-7,12H,8-9H2,1-3H3/b5-4-,7-6-,11-10-
InChIKeySQPBOPVDWODOJC-DZRQJSDLSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
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 [(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane?
The IUPAC name of [(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane (CID 178103964) is [(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane.
What is the SMILES notation for [(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane?
The canonical SMILES for [(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane is C/C=C\C=C/C(C)=C(/C)C1CC1.
What is the InChIKey of [(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane?
The InChIKey is SQPBOPVDWODOJC-DZRQJSDLSA-N. The full InChI is InChI=1S/C12H18/c1-4-5-6-7-10(2)11(3)12-8-9-12/h4-7,12H,8-9H2,1-3H3/b5-4-,7-6-,11-10-.
What are the key properties of [(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane?
[(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane has a molecular weight of 162.28 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane is sourced from PubChem (CID 178103964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).