7-(2-hept-6-enoxyhexoxy)hept-1-ene

C20H38O2 — CID 71465047

IUPAC7-(2-hept-6-enoxyhexoxy)hept-1-ene
SMILESC=CCCCCCOCC(CCCC)OCCCCCC=C
InChIInChI=1S/C20H38O2/c1-4-7-10-12-14-17-21-19-20(16-9-6-3)22-18-15-13-11-8-5-2/h4-5,20H,1-2,6-19H2,3H3
InChIKeyFMBIMLDIGNPFPF-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.07
Rot. Bonds18

About 7-(2-hept-6-enoxyhexoxy)hept-1-ene

7-(2-hept-6-enoxyhexoxy)hept-1-ene (PubChem CID 71465047) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 7-(2-hept-6-enoxyhexoxy)hept-1-ene.

Molecular Properties

Compound Name7-(2-hept-6-enoxyhexoxy)hept-1-ene
PubChem CID71465047
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name7-(2-hept-6-enoxyhexoxy)hept-1-ene
SMILESC=CCCCCCOCC(CCCC)OCCCCCC=C
InChIInChI=1S/C20H38O2/c1-4-7-10-12-14-17-21-19-20(16-9-6-3)22-18-15-13-11-8-5-2/h4-5,20H,1-2,6-19H2,3H3
InChIKeyFMBIMLDIGNPFPF-UHFFFAOYSA-N
XLogP6.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,8-Dimethoxyoct-1-ene
CID 3022579
8-[2-(2-Methoxyethoxy)ethoxy]oct-1-ene
CID 13959113
2-Hex-5-enyl-1,4,7,10-tetraoxacyclododecane
CID 14406023
10,11-Dimethoxyundec-1-ene
CID 17824887
9,10-Dimethoxydodec-1-ene
CID 17824923
7-Propoxyoct-1-ene
CID 17825073
8-(Hexadecyloxy)-7-methoxy-1-octene
CID 19939565
3-(2-Ethoxyethoxy)oct-1-ene
CID 20357215
5-Ethoxy-6-methoxytetradec-1-ene
CID 21508501
2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 21811784
2-Oct-7-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 21835866
2-(Hept-6-enoxymethyl)oxirane
CID 22934435

Frequently Asked Questions

What is the IUPAC name of 7-(2-hept-6-enoxyhexoxy)hept-1-ene?
The IUPAC name of 7-(2-hept-6-enoxyhexoxy)hept-1-ene (CID 71465047) is 7-(2-hept-6-enoxyhexoxy)hept-1-ene.
What is the SMILES notation for 7-(2-hept-6-enoxyhexoxy)hept-1-ene?
The canonical SMILES for 7-(2-hept-6-enoxyhexoxy)hept-1-ene is C=CCCCCCOCC(CCCC)OCCCCCC=C.
What is the InChIKey of 7-(2-hept-6-enoxyhexoxy)hept-1-ene?
The InChIKey is FMBIMLDIGNPFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-4-7-10-12-14-17-21-19-20(16-9-6-3)22-18-15-13-11-8-5-2/h4-5,20H,1-2,6-19H2,3H3.
What are the key properties of 7-(2-hept-6-enoxyhexoxy)hept-1-ene?
7-(2-hept-6-enoxyhexoxy)hept-1-ene has a molecular weight of 310.52 g/mol, XLogP of 6.07, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hept-6-enoxyhexoxy)hept-1-ene is sourced from PubChem (CID 71465047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).