(3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene

C14H22O — CID 143973281

IUPAC(3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene
SMILESC=C/C=C(\C=C/C)COCCCCC=C
InChIInChI=1S/C14H22O/c1-4-7-8-9-12-15-13-14(10-5-2)11-6-3/h4-6,10-11H,1-2,7-9,12-13H2,3H3/b11-6-,14-10+
InChIKeyMHTUPZBDIIMKQG-HNPFEXMKSA-N
MW206.33 g/mol
LogP4.05
Rot. Bonds9

About (3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene

(3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene (PubChem CID 143973281) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene
PubChem CID143973281
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene
SMILESC=C/C=C(\C=C/C)COCCCCC=C
InChIInChI=1S/C14H22O/c1-4-7-8-9-12-15-13-14(10-5-2)11-6-3/h4-6,10-11H,1-2,7-9,12-13H2,3H3/b11-6-,14-10+
InChIKeyMHTUPZBDIIMKQG-HNPFEXMKSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-4-(2-methylbutoxymethyl)hepta-1,3,5-triene
CID 143465864
12-dodec-11-enoxydodec-1-ene
CID 87325659
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
ethyl 2-hept-6-enoxyacetate
CID 131980625
2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid
CID 45275900
N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine
CID 143612391
(2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene
CID 145079816
6-(methoxymethoxy)hex-1-ene
CID 14631669
ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene
CID 154661218
ethane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 142107986
N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 142294235

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene (CID 143973281) is (3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene is C=C/C=C(\C=C/C)COCCCCC=C.
What is the InChIKey of (3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene?
The InChIKey is MHTUPZBDIIMKQG-HNPFEXMKSA-N. The full InChI is InChI=1S/C14H22O/c1-4-7-8-9-12-15-13-14(10-5-2)11-6-3/h4-6,10-11H,1-2,7-9,12-13H2,3H3/b11-6-,14-10+.
What are the key properties of (3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene?
(3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene has a molecular weight of 206.33 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene is sourced from PubChem (CID 143973281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).