1-but-1-en-2-yloxyhexane

C10H20O — CID 57257919

IUPAC1-but-1-en-2-yloxyhexane
SMILESC=C(CC)OCCCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-8-9-11-10(3)5-2/h3-9H2,1-2H3
InChIKeyKRJQHENCFRAAHA-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.51
Rot. Bonds7

About 1-but-1-en-2-yloxyhexane

1-but-1-en-2-yloxyhexane (PubChem CID 57257919) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-but-1-en-2-yloxyhexane.

Molecular Properties

Compound Name1-but-1-en-2-yloxyhexane
PubChem CID57257919
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-but-1-en-2-yloxyhexane
SMILESC=C(CC)OCCCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-8-9-11-10(3)5-2/h3-9H2,1-2H3
InChIKeyKRJQHENCFRAAHA-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 58247133
hexyl 2-methylidenebutanoate;2-methylprop-1-ene
CID 88842326
1-(5-bromopent-1-en-2-yloxy)pentadecane
CID 88529560
octacosyl carbamate
CID 160925840
1-buta-1,3-dien-2-yloxydocosane
CID 166669930
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
5-icosoxyhex-5-en-2-one
CID 143854633
hexoxycarbonyl hexyl carbonate
CID 18974231
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
octatetracontyl 2-methylprop-2-enoate
CID 141233444

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yloxyhexane?
The IUPAC name of 1-but-1-en-2-yloxyhexane (CID 57257919) is 1-but-1-en-2-yloxyhexane.
What is the SMILES notation for 1-but-1-en-2-yloxyhexane?
The canonical SMILES for 1-but-1-en-2-yloxyhexane is C=C(CC)OCCCCCC.
What is the InChIKey of 1-but-1-en-2-yloxyhexane?
The InChIKey is KRJQHENCFRAAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-6-7-8-9-11-10(3)5-2/h3-9H2,1-2H3.
What are the key properties of 1-but-1-en-2-yloxyhexane?
1-but-1-en-2-yloxyhexane has a molecular weight of 156.27 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yloxyhexane is sourced from PubChem (CID 57257919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).