(Z)-2-(2-methoxypropyl)dec-2-enal

C14H26O2 — CID 134333712

IUPAC(Z)-2-(2-methoxypropyl)dec-2-enal
SMILESCCCCCCC/C=C(\C=O)CC(C)OC
InChIInChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-14(12-15)11-13(2)16-3/h10,12-13H,4-9,11H2,1-3H3/b14-10-
InChIKeyQFVDYCKVQGGVCH-UVTDQMKNSA-N
MW226.36 g/mol
LogP3.90
Rot. Bonds10

About (Z)-2-(2-methoxypropyl)dec-2-enal

(Z)-2-(2-methoxypropyl)dec-2-enal (PubChem CID 134333712) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (Z)-2-(2-methoxypropyl)dec-2-enal.

Molecular Properties

Compound Name(Z)-2-(2-methoxypropyl)dec-2-enal
PubChem CID134333712
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(Z)-2-(2-methoxypropyl)dec-2-enal
SMILESCCCCCCC/C=C(\C=O)CC(C)OC
InChIInChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-14(12-15)11-13(2)16-3/h10,12-13H,4-9,11H2,1-3H3/b14-10-
InChIKeyQFVDYCKVQGGVCH-UVTDQMKNSA-N
XLogP3.90
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 ≤ 53.90
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-methoxypropyl)dec-2-enal?
The IUPAC name of (Z)-2-(2-methoxypropyl)dec-2-enal (CID 134333712) is (Z)-2-(2-methoxypropyl)dec-2-enal.
What is the SMILES notation for (Z)-2-(2-methoxypropyl)dec-2-enal?
The canonical SMILES for (Z)-2-(2-methoxypropyl)dec-2-enal is CCCCCCC/C=C(\C=O)CC(C)OC.
What is the InChIKey of (Z)-2-(2-methoxypropyl)dec-2-enal?
The InChIKey is QFVDYCKVQGGVCH-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-14(12-15)11-13(2)16-3/h10,12-13H,4-9,11H2,1-3H3/b14-10-.
What are the key properties of (Z)-2-(2-methoxypropyl)dec-2-enal?
(Z)-2-(2-methoxypropyl)dec-2-enal has a molecular weight of 226.36 g/mol, XLogP of 3.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-methoxypropyl)dec-2-enal is sourced from PubChem (CID 134333712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).