5-methyl-7-propan-2-yloxyhept-4-enal

C11H20O2 — CID 54043294

IUPAC5-methyl-7-propan-2-yloxyhept-4-enal
SMILESCC(=CCCC=O)CCOC(C)C
InChIInChI=1S/C11H20O2/c1-10(2)13-9-7-11(3)6-4-5-8-12/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyLNVMACQGWPXJSR-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds7

About 5-methyl-7-propan-2-yloxyhept-4-enal

5-methyl-7-propan-2-yloxyhept-4-enal (PubChem CID 54043294) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-methyl-7-propan-2-yloxyhept-4-enal.

Molecular Properties

Compound Name5-methyl-7-propan-2-yloxyhept-4-enal
PubChem CID54043294
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-methyl-7-propan-2-yloxyhept-4-enal
SMILESCC(=CCCC=O)CCOC(C)C
InChIInChI=1S/C11H20O2/c1-10(2)13-9-7-11(3)6-4-5-8-12/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyLNVMACQGWPXJSR-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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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Related Compounds

(E)-6-methyl-8-propan-2-yloxyoct-5-en-2-one
CID 12910611
5,7-dimethyloct-4-enal
CID 154103325
(E)-5-methylnon-4-enal
CID 101111838
3-(2-propan-2-yloxyethoxy)propanal
CID 63040405
(4E)-5,9-dimethyldeca-4,9-dienal
CID 6437671
(Z)-8-hydroxy-4,8,9-trimethyldec-4-enal
CID 156834915
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
ethyl 2,6-dimethyl-9-oxonon-5-enoate
CID 165357841
(E)-6-methoxy-4-methylhex-4-enal
CID 59967277
acetyl 3-propan-2-yloxypropanoate
CID 141070791
methyl 3-propan-2-yloxypropanoate
CID 18469515
4-methyl-N-(2-methylpropyl)-5-propan-2-yloxypent-3-en-1-amine
CID 79607218

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-propan-2-yloxyhept-4-enal?
The IUPAC name of 5-methyl-7-propan-2-yloxyhept-4-enal (CID 54043294) is 5-methyl-7-propan-2-yloxyhept-4-enal.
What is the SMILES notation for 5-methyl-7-propan-2-yloxyhept-4-enal?
The canonical SMILES for 5-methyl-7-propan-2-yloxyhept-4-enal is CC(=CCCC=O)CCOC(C)C.
What is the InChIKey of 5-methyl-7-propan-2-yloxyhept-4-enal?
The InChIKey is LNVMACQGWPXJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)13-9-7-11(3)6-4-5-8-12/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 5-methyl-7-propan-2-yloxyhept-4-enal?
5-methyl-7-propan-2-yloxyhept-4-enal has a molecular weight of 184.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-propan-2-yloxyhept-4-enal is sourced from PubChem (CID 54043294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).