ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene

C13H28 — CID 162518558

IUPACethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
SMILESC.C.C=C/C=C(\C=C)C(C)C.CC
InChIInChI=1S/C9H14.C2H6.2CH4/c1-5-7-9(6-2)8(3)4;1-2;;/h5-8H,1-2H2,3-4H3;1-2H3;2*1H4/b9-7+;;;
InChIKeyDXOICCFMEADYTO-UVUKSMQLSA-N
MW184.37 g/mol
LogP5.24
Rot. Bonds3

About ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene

ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene (PubChem CID 162518558) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene.

Molecular Properties

Compound Nameethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
PubChem CID162518558
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Nameethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
SMILESC.C.C=C/C=C(\C=C)C(C)C.CC
InChIInChI=1S/C9H14.C2H6.2CH4/c1-5-7-9(6-2)8(3)4;1-2;;/h5-8H,1-2H2,3-4H3;1-2H3;2*1H4/b9-7+;;;
InChIKeyDXOICCFMEADYTO-UVUKSMQLSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.24
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

ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
CID 178156046
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane
CID 167471626
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
CID 167471627
ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol
CID 145139860
ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
CID 177324817
ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
CID 143201659
ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene
CID 143267844
N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 174337124

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene?
The IUPAC name of ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene (CID 162518558) is ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene.
What is the SMILES notation for ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene?
The canonical SMILES for ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene is C.C.C=C/C=C(\C=C)C(C)C.CC.
What is the InChIKey of ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene?
The InChIKey is DXOICCFMEADYTO-UVUKSMQLSA-N. The full InChI is InChI=1S/C9H14.C2H6.2CH4/c1-5-7-9(6-2)8(3)4;1-2;;/h5-8H,1-2H2,3-4H3;1-2H3;2*1H4/b9-7+;;;.
What are the key properties of ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene?
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene has a molecular weight of 184.37 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene is sourced from PubChem (CID 162518558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).