ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane

C14H24O — CID 155687678

IUPACethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane
SMILESC=C/C(=C\C(=C)C)CCOC1CC1.CC
InChIInChI=1S/C12H18O.C2H6/c1-4-11(9-10(2)3)7-8-13-12-5-6-12;1-2/h4,9,12H,1-2,5-8H2,3H3;1-2H3/b11-9+;
InChIKeyXMGBXGFIUCISAA-LBEJWNQZSA-N
MW208.34 g/mol
LogP4.27
Rot. Bonds6

About ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane

ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane (PubChem CID 155687678) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane.

Molecular Properties

Compound Nameethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane
PubChem CID155687678
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Nameethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane
SMILESC=C/C(=C\C(=C)C)CCOC1CC1.CC
InChIInChI=1S/C12H18O.C2H6/c1-4-11(9-10(2)3)7-8-13-12-5-6-12;1-2/h4,9,12H,1-2,5-8H2,3H3;1-2H3/b11-9+;
InChIKeyXMGBXGFIUCISAA-LBEJWNQZSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane?
The IUPAC name of ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane (CID 155687678) is ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane.
What is the SMILES notation for ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane?
The canonical SMILES for ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane is C=C/C(=C\C(=C)C)CCOC1CC1.CC.
What is the InChIKey of ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane?
The InChIKey is XMGBXGFIUCISAA-LBEJWNQZSA-N. The full InChI is InChI=1S/C12H18O.C2H6/c1-4-11(9-10(2)3)7-8-13-12-5-6-12;1-2/h4,9,12H,1-2,5-8H2,3H3;1-2H3/b11-9+;.
What are the key properties of ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane?
ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane has a molecular weight of 208.34 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane is sourced from PubChem (CID 155687678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).