non-1-en-3-yl formate

C10H18O2 — CID 3020028

IUPACnon-1-en-3-yl formate
SMILESC=CC(CCCCCC)OC=O
InChIInChI=1S/C10H18O2/c1-3-5-6-7-8-10(4-2)12-9-11/h4,9-10H,2-3,5-8H2,1H3
InChIKeyBNHJRSKWTCEYEL-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.68
Rot. Bonds8

About non-1-en-3-yl formate

non-1-en-3-yl formate (PubChem CID 3020028) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is non-1-en-3-yl formate.

Molecular Properties

Compound Namenon-1-en-3-yl formate
PubChem CID3020028
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namenon-1-en-3-yl formate
SMILESC=CC(CCCCCC)OC=O
InChIInChI=1S/C10H18O2/c1-3-5-6-7-8-10(4-2)12-9-11/h4,9-10H,2-3,5-8H2,1H3
InChIKeyBNHJRSKWTCEYEL-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of non-1-en-3-yl formate?
The IUPAC name of non-1-en-3-yl formate (CID 3020028) is non-1-en-3-yl formate.
What is the SMILES notation for non-1-en-3-yl formate?
The canonical SMILES for non-1-en-3-yl formate is C=CC(CCCCCC)OC=O.
What is the InChIKey of non-1-en-3-yl formate?
The InChIKey is BNHJRSKWTCEYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-6-7-8-10(4-2)12-9-11/h4,9-10H,2-3,5-8H2,1H3.
What are the key properties of non-1-en-3-yl formate?
non-1-en-3-yl formate has a molecular weight of 170.25 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-en-3-yl formate is sourced from PubChem (CID 3020028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).