oxolan-2-yl 5-methylhex-5-enoate

C11H18O3 — CID 23554128

IUPACoxolan-2-yl 5-methylhex-5-enoate
SMILESC=C(C)CCCC(=O)OC1CCCO1
InChIInChI=1S/C11H18O3/c1-9(2)5-3-6-10(12)14-11-7-4-8-13-11/h11H,1,3-8H2,2H3
InChIKeyBHFMCUUASOGVAH-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.41
Rot. Bonds5

About oxolan-2-yl 5-methylhex-5-enoate

oxolan-2-yl 5-methylhex-5-enoate (PubChem CID 23554128) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is oxolan-2-yl 5-methylhex-5-enoate.

Molecular Properties

Compound Nameoxolan-2-yl 5-methylhex-5-enoate
PubChem CID23554128
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameoxolan-2-yl 5-methylhex-5-enoate
SMILESC=C(C)CCCC(=O)OC1CCCO1
InChIInChI=1S/C11H18O3/c1-9(2)5-3-6-10(12)14-11-7-4-8-13-11/h11H,1,3-8H2,2H3
InChIKeyBHFMCUUASOGVAH-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2(3H)-Furanone, 4,5-dihydro-3-methoxy-4-(2-methyl-1-propen-3-yl)-, trans-
CID 534883
Oxan-2-yl 5-methylhex-5-enoate
CID 23554131

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl 5-methylhex-5-enoate?
The IUPAC name of oxolan-2-yl 5-methylhex-5-enoate (CID 23554128) is oxolan-2-yl 5-methylhex-5-enoate.
What is the SMILES notation for oxolan-2-yl 5-methylhex-5-enoate?
The canonical SMILES for oxolan-2-yl 5-methylhex-5-enoate is C=C(C)CCCC(=O)OC1CCCO1.
What is the InChIKey of oxolan-2-yl 5-methylhex-5-enoate?
The InChIKey is BHFMCUUASOGVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9(2)5-3-6-10(12)14-11-7-4-8-13-11/h11H,1,3-8H2,2H3.
What are the key properties of oxolan-2-yl 5-methylhex-5-enoate?
oxolan-2-yl 5-methylhex-5-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 5-methylhex-5-enoate is sourced from PubChem (CID 23554128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).