butan-2-yl dec-9-enoate

C14H26O2 — CID 88933092

IUPACbutan-2-yl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OC(C)CC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-14(15)16-13(3)5-2/h4,13H,1,5-12H2,2-3H3
InChIKeyULVDLDSEWRVRIC-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.24
Rot. Bonds10

About butan-2-yl dec-9-enoate

butan-2-yl dec-9-enoate (PubChem CID 88933092) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is butan-2-yl dec-9-enoate.

Molecular Properties

Compound Namebutan-2-yl dec-9-enoate
PubChem CID88933092
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namebutan-2-yl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OC(C)CC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-14(15)16-13(3)5-2/h4,13H,1,5-12H2,2-3H3
InChIKeyULVDLDSEWRVRIC-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 butan-2-yl dec-9-enoate?
The IUPAC name of butan-2-yl dec-9-enoate (CID 88933092) is butan-2-yl dec-9-enoate.
What is the SMILES notation for butan-2-yl dec-9-enoate?
The canonical SMILES for butan-2-yl dec-9-enoate is C=CCCCCCCCC(=O)OC(C)CC.
What is the InChIKey of butan-2-yl dec-9-enoate?
The InChIKey is ULVDLDSEWRVRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-14(15)16-13(3)5-2/h4,13H,1,5-12H2,2-3H3.
What are the key properties of butan-2-yl dec-9-enoate?
butan-2-yl dec-9-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl dec-9-enoate is sourced from PubChem (CID 88933092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).