1,2-bis[(E)-4-methylpent-1-enoxy]hexane

C18H34O2 — CID 71465049

IUPAC1,2-bis[(E)-4-methylpent-1-enoxy]hexane
SMILESCCCCC(CO/C=C/CC(C)C)O/C=C/CC(C)C
InChIInChI=1S/C18H34O2/c1-6-7-12-18(20-14-9-11-17(4)5)15-19-13-8-10-16(2)3/h8-9,13-14,16-18H,6-7,10-12,15H2,1-5H3/b13-8+,14-9+
InChIKeyGQOGPACLLHUOPE-UQNWOCKMSA-N
MW282.47 g/mol
LogP5.70
Rot. Bonds12

About 1,2-bis[(E)-4-methylpent-1-enoxy]hexane

1,2-bis[(E)-4-methylpent-1-enoxy]hexane (PubChem CID 71465049) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1,2-bis[(E)-4-methylpent-1-enoxy]hexane.

Molecular Properties

Compound Name1,2-bis[(E)-4-methylpent-1-enoxy]hexane
PubChem CID71465049
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1,2-bis[(E)-4-methylpent-1-enoxy]hexane
SMILESCCCCC(CO/C=C/CC(C)C)O/C=C/CC(C)C
InChIInChI=1S/C18H34O2/c1-6-7-12-18(20-14-9-11-17(4)5)15-19-13-8-10-16(2)3/h8-9,13-14,16-18H,6-7,10-12,15H2,1-5H3/b13-8+,14-9+
InChIKeyGQOGPACLLHUOPE-UQNWOCKMSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Bis(hex-5-enoxy)hexane
CID 71465046
7-(2-Hept-6-enoxyhexoxy)hept-1-ene
CID 71465047
1,2-Bis(4-methylpent-1-enoxy)hexane
CID 78076527
6,7-Dimethoxy-5-methylhept-1-ene
CID 89254927
1,4-Bis(4-methylpent-1-enoxy)cyclohexane
CID 142724786
2-(3-Methylpent-1-enoxymethyl)oxane
CID 150349362
3,4-dihydro-2H-pyran;ethenoxycyclohexane;ethenoxyethane;1-ethenoxy-2-methylpropane;(E)-1-ethoxybut-1-ene
CID 158900460
Butane;2-(3-methylpent-1-enoxymethyl)oxane
CID 161561768
3-Methyl-1-octan-3-yloxydodec-1-ene
CID 168935393

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-4-methylpent-1-enoxy]hexane?
The IUPAC name of 1,2-bis[(E)-4-methylpent-1-enoxy]hexane (CID 71465049) is 1,2-bis[(E)-4-methylpent-1-enoxy]hexane.
What is the SMILES notation for 1,2-bis[(E)-4-methylpent-1-enoxy]hexane?
The canonical SMILES for 1,2-bis[(E)-4-methylpent-1-enoxy]hexane is CCCCC(CO/C=C/CC(C)C)O/C=C/CC(C)C.
What is the InChIKey of 1,2-bis[(E)-4-methylpent-1-enoxy]hexane?
The InChIKey is GQOGPACLLHUOPE-UQNWOCKMSA-N. The full InChI is InChI=1S/C18H34O2/c1-6-7-12-18(20-14-9-11-17(4)5)15-19-13-8-10-16(2)3/h8-9,13-14,16-18H,6-7,10-12,15H2,1-5H3/b13-8+,14-9+.
What are the key properties of 1,2-bis[(E)-4-methylpent-1-enoxy]hexane?
1,2-bis[(E)-4-methylpent-1-enoxy]hexane has a molecular weight of 282.47 g/mol, XLogP of 5.70, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-4-methylpent-1-enoxy]hexane is sourced from PubChem (CID 71465049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).