(3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene

C14H22O — CID 143012341

IUPAC(3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene
SMILESC=C(/C=C\C)CO/C(=C/C=C\CC)CC
InChIInChI=1S/C14H22O/c1-5-8-9-11-14(7-3)15-12-13(4)10-6-2/h6,8-11H,4-5,7,12H2,1-3H3/b9-8-,10-6-,14-11+
InChIKeyNXWZKOAQUHUTFP-XJIMGXMFSA-N
MW206.33 g/mol
LogP4.40
Rot. Bonds7

About (3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene

(3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene (PubChem CID 143012341) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene.

Molecular Properties

Compound Name(3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene
PubChem CID143012341
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene
SMILESC=C(/C=C\C)CO/C(=C/C=C\CC)CC
InChIInChI=1S/C14H22O/c1-5-8-9-11-14(7-3)15-12-13(4)10-6-2/h6,8-11H,4-5,7,12H2,1-3H3/b9-8-,10-6-,14-11+
InChIKeyNXWZKOAQUHUTFP-XJIMGXMFSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.40
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

hexa-1,3-diene;4-methylidenehex-2-ene
CID 174375907
acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one
CID 143358490
(3Z,5Z)-2-methylideneocta-3,5-dien-1-amine
CID 143910764
(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine
CID 155240504
(2E)-1-methoxyhepta-2,4-dien-2-amine
CID 178080633
5-(2-ethoxy-2-oxoethoxy)hepta-2,4-dienoic acid
CID 129317620
N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine
CID 123493065
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
4-methylidenehepta-1,5-diene
CID 76553064
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216
2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide
CID 140757697
(2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene
CID 129041542

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene?
The IUPAC name of (3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene (CID 143012341) is (3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene.
What is the SMILES notation for (3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene?
The canonical SMILES for (3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene is C=C(/C=C\C)CO/C(=C/C=C\CC)CC.
What is the InChIKey of (3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene?
The InChIKey is NXWZKOAQUHUTFP-XJIMGXMFSA-N. The full InChI is InChI=1S/C14H22O/c1-5-8-9-11-14(7-3)15-12-13(4)10-6-2/h6,8-11H,4-5,7,12H2,1-3H3/b9-8-,10-6-,14-11+.
What are the key properties of (3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene?
(3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene has a molecular weight of 206.33 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene is sourced from PubChem (CID 143012341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).