2-butyl-5-methylideneoxolane

C9H16O — CID 59219377

IUPAC2-butyl-5-methylideneoxolane
SMILESC=C1CCC(CCCC)O1
InChIInChI=1S/C9H16O/c1-3-4-5-9-7-6-8(2)10-9/h9H,2-7H2,1H3
InChIKeyTVJAIZVYUDHMQM-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.87
Rot. Bonds3

About 2-butyl-5-methylideneoxolane

2-butyl-5-methylideneoxolane (PubChem CID 59219377) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-butyl-5-methylideneoxolane.

Molecular Properties

Compound Name2-butyl-5-methylideneoxolane
PubChem CID59219377
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-butyl-5-methylideneoxolane
SMILESC=C1CCC(CCCC)O1
InChIInChI=1S/C9H16O/c1-3-4-5-9-7-6-8(2)10-9/h9H,2-7H2,1H3
InChIKeyTVJAIZVYUDHMQM-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Heptyl-2,3-dihydrofuran
CID 14091327
2-Ethoxynon-1-ene
CID 12385679
2-Hexyl-2,3-dihydrofuran
CID 13538413
Lauryl hexaoxyethylene
CID 21407036
2-Methylidene-oxacyclotridecane
CID 85608247
2-Nonyl-2,3-dihydrofuran
CID 85847060
n-Octyl-pentaoxyethylene
CID 129682506
n-Dodecyl nonaoxyethylene
CID 129694971
n-Decyl-pentaoxyethylene
CID 129694975
2-Methoxydec-1-ene
CID 12531506
2-Methoxynon-1-ene
CID 91475696
(2S,5S)-2-pentyl-5-prop-2-enyloxolane
CID 10702595

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methylideneoxolane?
The IUPAC name of 2-butyl-5-methylideneoxolane (CID 59219377) is 2-butyl-5-methylideneoxolane.
What is the SMILES notation for 2-butyl-5-methylideneoxolane?
The canonical SMILES for 2-butyl-5-methylideneoxolane is C=C1CCC(CCCC)O1.
What is the InChIKey of 2-butyl-5-methylideneoxolane?
The InChIKey is TVJAIZVYUDHMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-9-7-6-8(2)10-9/h9H,2-7H2,1H3.
What are the key properties of 2-butyl-5-methylideneoxolane?
2-butyl-5-methylideneoxolane has a molecular weight of 140.23 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methylideneoxolane is sourced from PubChem (CID 59219377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).