(E)-5-methyl-7-propan-2-yloxyhept-2-enal

C11H20O2 — CID 88832858

IUPAC(E)-5-methyl-7-propan-2-yloxyhept-2-enal
SMILESCC(C/C=C/C=O)CCOC(C)C
InChIInChI=1S/C11H20O2/c1-10(2)13-9-7-11(3)6-4-5-8-12/h4-5,8,10-11H,6-7,9H2,1-3H3/b5-4+
InChIKeyLVQUWZQOGDXMNQ-SNAWJCMRSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds7

About (E)-5-methyl-7-propan-2-yloxyhept-2-enal

(E)-5-methyl-7-propan-2-yloxyhept-2-enal (PubChem CID 88832858) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-methyl-7-propan-2-yloxyhept-2-enal.

Molecular Properties

Compound Name(E)-5-methyl-7-propan-2-yloxyhept-2-enal
PubChem CID88832858
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-5-methyl-7-propan-2-yloxyhept-2-enal
SMILESCC(C/C=C/C=O)CCOC(C)C
InChIInChI=1S/C11H20O2/c1-10(2)13-9-7-11(3)6-4-5-8-12/h4-5,8,10-11H,6-7,9H2,1-3H3/b5-4+
InChIKeyLVQUWZQOGDXMNQ-SNAWJCMRSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-7-propan-2-yloxyhept-2-enal?
The IUPAC name of (E)-5-methyl-7-propan-2-yloxyhept-2-enal (CID 88832858) is (E)-5-methyl-7-propan-2-yloxyhept-2-enal.
What is the SMILES notation for (E)-5-methyl-7-propan-2-yloxyhept-2-enal?
The canonical SMILES for (E)-5-methyl-7-propan-2-yloxyhept-2-enal is CC(C/C=C/C=O)CCOC(C)C.
What is the InChIKey of (E)-5-methyl-7-propan-2-yloxyhept-2-enal?
The InChIKey is LVQUWZQOGDXMNQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)13-9-7-11(3)6-4-5-8-12/h4-5,8,10-11H,6-7,9H2,1-3H3/b5-4+.
What are the key properties of (E)-5-methyl-7-propan-2-yloxyhept-2-enal?
(E)-5-methyl-7-propan-2-yloxyhept-2-enal has a molecular weight of 184.28 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-7-propan-2-yloxyhept-2-enal is sourced from PubChem (CID 88832858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).