1,2-bis(hex-5-enoxy)hexane

C18H34O2 — CID 71465046

IUPAC1,2-bis(hex-5-enoxy)hexane
SMILESC=CCCCCOCC(CCCC)OCCCCC=C
InChIInChI=1S/C18H34O2/c1-4-7-10-12-15-19-17-18(14-9-6-3)20-16-13-11-8-5-2/h4-5,18H,1-2,6-17H2,3H3
InChIKeyGORMGXVEXYCUJW-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.29
Rot. Bonds16

About 1,2-bis(hex-5-enoxy)hexane

1,2-bis(hex-5-enoxy)hexane (PubChem CID 71465046) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1,2-bis(hex-5-enoxy)hexane.

Molecular Properties

Compound Name1,2-bis(hex-5-enoxy)hexane
PubChem CID71465046
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1,2-bis(hex-5-enoxy)hexane
SMILESC=CCCCCOCC(CCCC)OCCCCC=C
InChIInChI=1S/C18H34O2/c1-4-7-10-12-15-19-17-18(14-9-6-3)20-16-13-11-8-5-2/h4-5,18H,1-2,6-17H2,3H3
InChIKeyGORMGXVEXYCUJW-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.29
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 1,2-bis(hex-5-enoxy)hexane?
The IUPAC name of 1,2-bis(hex-5-enoxy)hexane (CID 71465046) is 1,2-bis(hex-5-enoxy)hexane.
What is the SMILES notation for 1,2-bis(hex-5-enoxy)hexane?
The canonical SMILES for 1,2-bis(hex-5-enoxy)hexane is C=CCCCCOCC(CCCC)OCCCCC=C.
What is the InChIKey of 1,2-bis(hex-5-enoxy)hexane?
The InChIKey is GORMGXVEXYCUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-7-10-12-15-19-17-18(14-9-6-3)20-16-13-11-8-5-2/h4-5,18H,1-2,6-17H2,3H3.
What are the key properties of 1,2-bis(hex-5-enoxy)hexane?
1,2-bis(hex-5-enoxy)hexane has a molecular weight of 282.47 g/mol, XLogP of 5.29, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(hex-5-enoxy)hexane is sourced from PubChem (CID 71465046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).