ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene

C18H32 — CID 143201659

IUPACethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
SMILESC=C/C=C(\C=C)C(C)C(/C=C\C)=C/C.CC.CC
InChIInChI=1S/C14H20.2C2H6/c1-6-10-13(8-3)12(5)14(9-4)11-7-2;2*1-2/h6-12H,1,3H2,2,4-5H3;2*1-2H3/b11-7-,13-10+,14-9+;;
InChIKeyOSRSTKXLJZNGIA-ATVFJJMGSA-N
MW248.45 g/mol
LogP6.50
Rot. Bonds5

About ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene

ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene (PubChem CID 143201659) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene.

Molecular Properties

Compound Nameethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
PubChem CID143201659
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Nameethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
SMILESC=C/C=C(\C=C)C(C)C(/C=C\C)=C/C.CC.CC
InChIInChI=1S/C14H20.2C2H6/c1-6-10-13(8-3)12(5)14(9-4)11-7-2;2*1-2/h6-12H,1,3H2,2,4-5H3;2*1-2H3/b11-7-,13-10+,14-9+;;
InChIKeyOSRSTKXLJZNGIA-ATVFJJMGSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.50
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

ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
CID 156838266
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
CID 143782446
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
(3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane
CID 143745715
ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene
CID 143267844
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 143204941
ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol
CID 145139860
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene?
The IUPAC name of ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene (CID 143201659) is ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene.
What is the SMILES notation for ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene?
The canonical SMILES for ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene is C=C/C=C(\C=C)C(C)C(/C=C\C)=C/C.CC.CC.
What is the InChIKey of ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene?
The InChIKey is OSRSTKXLJZNGIA-ATVFJJMGSA-N. The full InChI is InChI=1S/C14H20.2C2H6/c1-6-10-13(8-3)12(5)14(9-4)11-7-2;2*1-2/h6-12H,1,3H2,2,4-5H3;2*1-2H3/b11-7-,13-10+,14-9+;;.
What are the key properties of ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene?
ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene has a molecular weight of 248.45 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene is sourced from PubChem (CID 143201659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).