ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane

C12H20 — CID 142052871

IUPACethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane
SMILESC=C/C(C)=C\C(=C)C1CC1.CC
InChIInChI=1S/C10H14.C2H6/c1-4-8(2)7-9(3)10-5-6-10;1-2/h4,7,10H,1,3,5-6H2,2H3;1-2H3/b8-7-;
InChIKeyKZHGOCFMSBIUEH-CFYXSCKTSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds3

About ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane

ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane (PubChem CID 142052871) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane.

Molecular Properties

Compound Nameethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane
PubChem CID142052871
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nameethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane
SMILESC=C/C(C)=C\C(=C)C1CC1.CC
InChIInChI=1S/C10H14.C2H6/c1-4-8(2)7-9(3)10-5-6-10;1-2/h4,7,10H,1,3,5-6H2,2H3;1-2H3/b8-7-;
InChIKeyKZHGOCFMSBIUEH-CFYXSCKTSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methylpenta-1,3-dien-2-ylcyclohexane
CID 145299329
1-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(3E)-4-methyl-5-methylidenehepta-1,3,6-trien-2-yl]cyclohexane
CID 163691247
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane
CID 143646233
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
4-cyclopropyl-2-ethylpenta-2,4-dienamide
CID 90933129
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
5-[(3E)-5-cyclopropylhexa-1,3,5-trien-3-yl]-3-ethyl-1,2,4-oxadiazole
CID 177001392
ethane;[(3Z)-5-methylidenehepta-1,3-dien-2-yl]cyclopentane
CID 143163301
[(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane
CID 143871656
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506

Frequently Asked Questions

What is the IUPAC name of ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane?
The IUPAC name of ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane (CID 142052871) is ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane.
What is the SMILES notation for ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane?
The canonical SMILES for ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane is C=C/C(C)=C\C(=C)C1CC1.CC.
What is the InChIKey of ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane?
The InChIKey is KZHGOCFMSBIUEH-CFYXSCKTSA-N. The full InChI is InChI=1S/C10H14.C2H6/c1-4-8(2)7-9(3)10-5-6-10;1-2/h4,7,10H,1,3,5-6H2,2H3;1-2H3/b8-7-;.
What are the key properties of ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane?
ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane has a molecular weight of 164.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane is sourced from PubChem (CID 142052871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).