2-[(Z)-3-methylbut-1-enoxy]hex-1-ene

C11H20O — CID 177189720

IUPAC2-[(Z)-3-methylbut-1-enoxy]hex-1-ene
SMILESC=C(CCCC)O/C=C\C(C)C
InChIInChI=1S/C11H20O/c1-5-6-7-11(4)12-9-8-10(2)3/h8-10H,4-7H2,1-3H3/b9-8-
InChIKeyORVIWNGMSRXCDE-HJWRWDBZSA-N
MW168.28 g/mol
LogP3.88
Rot. Bonds6

About 2-[(Z)-3-methylbut-1-enoxy]hex-1-ene

2-[(Z)-3-methylbut-1-enoxy]hex-1-ene (PubChem CID 177189720) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-[(Z)-3-methylbut-1-enoxy]hex-1-ene.

Molecular Properties

Compound Name2-[(Z)-3-methylbut-1-enoxy]hex-1-ene
PubChem CID177189720
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-[(Z)-3-methylbut-1-enoxy]hex-1-ene
SMILESC=C(CCCC)O/C=C\C(C)C
InChIInChI=1S/C11H20O/c1-5-6-7-11(4)12-9-8-10(2)3/h8-10H,4-7H2,1-3H3/b9-8-
InChIKeyORVIWNGMSRXCDE-HJWRWDBZSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene
CID 130372719
2-[(Z)-prop-1-enoxy]pent-1-ene
CID 142914267
(Z)-2-methyl-5-methylideneoct-3-ene
CID 143255945
2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
2-methyl-3,4-dimethylideneoctane
CID 134835282
2-methoxyicos-1-ene
CID 175283491
1-hex-1-en-2-ylperoxyhexane
CID 59929364
(3E)-2,5-dimethylnona-1,3-diene
CID 14899752
(1E,3Z,5E)-1-butoxy-7-methylocta-1,3,5-triene
CID 88539087
2-methylhex-1-ene
CID 158402499
4-methyl-5-methylidenenonane
CID 123995801
1-oct-1-en-2-yloxydodecane
CID 58247133

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-methylbut-1-enoxy]hex-1-ene?
The IUPAC name of 2-[(Z)-3-methylbut-1-enoxy]hex-1-ene (CID 177189720) is 2-[(Z)-3-methylbut-1-enoxy]hex-1-ene.
What is the SMILES notation for 2-[(Z)-3-methylbut-1-enoxy]hex-1-ene?
The canonical SMILES for 2-[(Z)-3-methylbut-1-enoxy]hex-1-ene is C=C(CCCC)O/C=C\C(C)C.
What is the InChIKey of 2-[(Z)-3-methylbut-1-enoxy]hex-1-ene?
The InChIKey is ORVIWNGMSRXCDE-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H20O/c1-5-6-7-11(4)12-9-8-10(2)3/h8-10H,4-7H2,1-3H3/b9-8-.
What are the key properties of 2-[(Z)-3-methylbut-1-enoxy]hex-1-ene?
2-[(Z)-3-methylbut-1-enoxy]hex-1-ene has a molecular weight of 168.28 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methylbut-1-enoxy]hex-1-ene is sourced from PubChem (CID 177189720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).