5-ethyloxolan-2-one;5-methylhept-1-ene

C14H26O2 — CID 156743819

IUPAC5-ethyloxolan-2-one;5-methylhept-1-ene
SMILESC=CCCC(C)CC.CCC1CCC(=O)O1
InChIInChI=1S/C8H16.C6H10O2/c1-4-6-7-8(3)5-2;1-2-5-3-4-6(7)8-5/h4,8H,1,5-7H2,2-3H3;5H,2-4H2,1H3
InChIKeyDLJIDUDBUKNSNK-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.10
Rot. Bonds5

About 5-ethyloxolan-2-one;5-methylhept-1-ene

5-ethyloxolan-2-one;5-methylhept-1-ene (PubChem CID 156743819) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-ethyloxolan-2-one;5-methylhept-1-ene.

Molecular Properties

Compound Name5-ethyloxolan-2-one;5-methylhept-1-ene
PubChem CID156743819
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name5-ethyloxolan-2-one;5-methylhept-1-ene
SMILESC=CCCC(C)CC.CCC1CCC(=O)O1
InChIInChI=1S/C8H16.C6H10O2/c1-4-6-7-8(3)5-2;1-2-5-3-4-6(7)8-5/h4,8H,1,5-7H2,2-3H3;5H,2-4H2,1H3
InChIKeyDLJIDUDBUKNSNK-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyloxolan-2-one;5-methylhept-1-ene?
The IUPAC name of 5-ethyloxolan-2-one;5-methylhept-1-ene (CID 156743819) is 5-ethyloxolan-2-one;5-methylhept-1-ene.
What is the SMILES notation for 5-ethyloxolan-2-one;5-methylhept-1-ene?
The canonical SMILES for 5-ethyloxolan-2-one;5-methylhept-1-ene is C=CCCC(C)CC.CCC1CCC(=O)O1.
What is the InChIKey of 5-ethyloxolan-2-one;5-methylhept-1-ene?
The InChIKey is DLJIDUDBUKNSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C6H10O2/c1-4-6-7-8(3)5-2;1-2-5-3-4-6(7)8-5/h4,8H,1,5-7H2,2-3H3;5H,2-4H2,1H3.
What are the key properties of 5-ethyloxolan-2-one;5-methylhept-1-ene?
5-ethyloxolan-2-one;5-methylhept-1-ene has a molecular weight of 226.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyloxolan-2-one;5-methylhept-1-ene is sourced from PubChem (CID 156743819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).