ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene

C12H22 — CID 142050106

IUPACethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
SMILESC/C=C\C=C/C(C)=C/CC.CC
InChIInChI=1S/C10H16.C2H6/c1-4-6-7-9-10(3)8-5-2;1-2/h4,6-9H,5H2,1-3H3;1-2H3/b6-4-,9-7-,10-8+;
InChIKeyWXRURXQTLUQSRZ-ALCIFHIYSA-N
MW166.31 g/mol
LogP4.50
Rot. Bonds3

About ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene

ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene (PubChem CID 142050106) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene.

Molecular Properties

Compound Nameethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
PubChem CID142050106
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Nameethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
SMILESC/C=C\C=C/C(C)=C/CC.CC
InChIInChI=1S/C10H16.C2H6/c1-4-6-7-9-10(3)8-5-2;1-2/h4,6-9H,5H2,1-3H3;1-2H3/b6-4-,9-7-,10-8+;
InChIKeyWXRURXQTLUQSRZ-ALCIFHIYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.50
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

3-methylocta-2,4,6-trien-1-ol
CID 130124602
benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
CID 144597093
5-methylocta-1,3,5-triene
CID 123706098
ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene
CID 144653602
3-methylhexa-1,3-dien-1-ol
CID 154284508
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
2-methylhepta-1,3,5-triene
CID 54571604
4,8,8-trimethylnona-3,5-diene
CID 123895816
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035
(2E,4E)-4-methylhepta-2,4-dien-1-ol
CID 10654230
6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene
CID 151199646
(2E,4E,6E)-3-methylocta-2,4,6-trienal
CID 24977703

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene?
The IUPAC name of ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene (CID 142050106) is ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene.
What is the SMILES notation for ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene?
The canonical SMILES for ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene is C/C=C\C=C/C(C)=C/CC.CC.
What is the InChIKey of ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene?
The InChIKey is WXRURXQTLUQSRZ-ALCIFHIYSA-N. The full InChI is InChI=1S/C10H16.C2H6/c1-4-6-7-9-10(3)8-5-2;1-2/h4,6-9H,5H2,1-3H3;1-2H3/b6-4-,9-7-,10-8+;.
What are the key properties of ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene?
ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene has a molecular weight of 166.31 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene is sourced from PubChem (CID 142050106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).