[2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane

C20H34O2 — CID 143642379

IUPAC[2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane
SMILESCC/C=C\C(=C/C=C/OC)C(C)OC(CC1CC1)C(C)CC
InChIInChI=1S/C20H34O2/c1-6-8-10-19(11-9-14-21-5)17(4)22-20(16(3)7-2)15-18-12-13-18/h8-11,14,16-18,20H,6-7,12-13,15H2,1-5H3/b10-8-,14-9+,19-11+
InChIKeyRMTLOZAKXIUDIP-KSQJUOCXSA-N
MW306.49 g/mol
LogP5.66
Rot. Bonds11

About [2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane

[2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane (PubChem CID 143642379) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is [2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane.

Molecular Properties

Compound Name[2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane
PubChem CID143642379
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name[2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane
SMILESCC/C=C\C(=C/C=C/OC)C(C)OC(CC1CC1)C(C)CC
InChIInChI=1S/C20H34O2/c1-6-8-10-19(11-9-14-21-5)17(4)22-20(16(3)7-2)15-18-12-13-18/h8-11,14,16-18,20H,6-7,12-13,15H2,1-5H3/b10-8-,14-9+,19-11+
InChIKeyRMTLOZAKXIUDIP-KSQJUOCXSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane?
The IUPAC name of [2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane (CID 143642379) is [2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane.
What is the SMILES notation for [2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane?
The canonical SMILES for [2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane is CC/C=C\C(=C/C=C/OC)C(C)OC(CC1CC1)C(C)CC.
What is the InChIKey of [2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane?
The InChIKey is RMTLOZAKXIUDIP-KSQJUOCXSA-N. The full InChI is InChI=1S/C20H34O2/c1-6-8-10-19(11-9-14-21-5)17(4)22-20(16(3)7-2)15-18-12-13-18/h8-11,14,16-18,20H,6-7,12-13,15H2,1-5H3/b10-8-,14-9+,19-11+.
What are the key properties of [2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane?
[2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane has a molecular weight of 306.49 g/mol, XLogP of 5.66, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z,3E)-3-[(E)-3-methoxyprop-2-enylidene]hept-4-en-2-yl]oxy-3-methylpentyl]cyclopropane is sourced from PubChem (CID 143642379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).