ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene

C19H32O — CID 143933755

IUPACethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)OC(=C)/C=C\C(C)=C/C.CC.CC
InChIInChI=1S/C15H20O.2C2H6/c1-6-9-10-15(8-3)16-14(5)12-11-13(4)7-2;2*1-2/h6-12H,1,5H2,2-4H3;2*1-2H3/b10-9-,12-11-,13-7-,15-8+;;
InChIKeyNFRWHSMLELTXDN-ZBQUPPPCSA-N
MW276.46 g/mol
LogP6.74
Rot. Bonds6

About ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene

ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene (PubChem CID 143933755) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene
PubChem CID143933755
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Nameethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)OC(=C)/C=C\C(C)=C/C.CC.CC
InChIInChI=1S/C15H20O.2C2H6/c1-6-9-10-15(8-3)16-14(5)12-11-13(4)7-2;2*1-2/h6-12H,1,5H2,2-4H3;2*1-2H3/b10-9-,12-11-,13-7-,15-8+;;
InChIKeyNFRWHSMLELTXDN-ZBQUPPPCSA-N
XLogP6.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3Z,5E)-2-methoxy-5-methylhepta-1,3,5-triene
CID 142113111
(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 143508019
[(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate
CID 146390791
ethane;2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]oxyacetic acid
CID 170598218
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyprop-1-ene-2-thiol;(3Z)-2-methylhexa-1,3,5-triene
CID 143046067
ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene
CID 145045584
[(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate
CID 130278986
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate
CID 174764747
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene (CID 143933755) is ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene is C=C/C=C\C(=C/C)OC(=C)/C=C\C(C)=C/C.CC.CC.
What is the InChIKey of ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene?
The InChIKey is NFRWHSMLELTXDN-ZBQUPPPCSA-N. The full InChI is InChI=1S/C15H20O.2C2H6/c1-6-9-10-15(8-3)16-14(5)12-11-13(4)7-2;2*1-2/h6-12H,1,5H2,2-4H3;2*1-2H3/b10-9-,12-11-,13-7-,15-8+;;.
What are the key properties of ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene?
ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene has a molecular weight of 276.46 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 143933755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).