2-methyl-5-propan-2-yloxynon-8-enal

C13H24O2 — CID 139996371

IUPAC2-methyl-5-propan-2-yloxynon-8-enal
SMILESC=CCCC(CCC(C)C=O)OC(C)C
InChIInChI=1S/C13H24O2/c1-5-6-7-13(15-11(2)3)9-8-12(4)10-14/h5,10-13H,1,6-9H2,2-4H3
InChIKeyRRDIZEBPGJOLIG-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.36
Rot. Bonds9

About 2-methyl-5-propan-2-yloxynon-8-enal

2-methyl-5-propan-2-yloxynon-8-enal (PubChem CID 139996371) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yloxynon-8-enal.

Molecular Properties

Compound Name2-methyl-5-propan-2-yloxynon-8-enal
PubChem CID139996371
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methyl-5-propan-2-yloxynon-8-enal
SMILESC=CCCC(CCC(C)C=O)OC(C)C
InChIInChI=1S/C13H24O2/c1-5-6-7-13(15-11(2)3)9-8-12(4)10-14/h5,10-13H,1,6-9H2,2-4H3
InChIKeyRRDIZEBPGJOLIG-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R,6S)-5-methoxy-2,2,6-trimethyl-3-oxonon-8-enal
CID 59076121
(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
CID 59990587
(4R,5S,6S)-5-methoxy-2,2,4,6-tetramethyl-3-oxonon-8-enal
CID 60066593
3-Methoxy-2-methyloct-7-enal
CID 139996378
methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
CID 160707559
2-Methyl-5-propan-2-yloxynon-8-en-3-one
CID 170925699
4-Methoxy-6-methyl-2-prop-1-en-2-ylheptanal
CID 10608032
(2S)-2-methyl-4-[(2S,6R)-6-prop-2-enyloxan-2-yl]butanal
CID 11160135
5-Methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
CID 20767046
(2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde
CID 101133084
3-[(2R,3S)-5,5-dimethyl-2-prop-2-enyloxolan-3-yl]propanal
CID 102279319
1-(3-Ethoxycyclobutyl)non-8-en-2-one
CID 107011207

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yloxynon-8-enal?
The IUPAC name of 2-methyl-5-propan-2-yloxynon-8-enal (CID 139996371) is 2-methyl-5-propan-2-yloxynon-8-enal.
What is the SMILES notation for 2-methyl-5-propan-2-yloxynon-8-enal?
The canonical SMILES for 2-methyl-5-propan-2-yloxynon-8-enal is C=CCCC(CCC(C)C=O)OC(C)C.
What is the InChIKey of 2-methyl-5-propan-2-yloxynon-8-enal?
The InChIKey is RRDIZEBPGJOLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-6-7-13(15-11(2)3)9-8-12(4)10-14/h5,10-13H,1,6-9H2,2-4H3.
What are the key properties of 2-methyl-5-propan-2-yloxynon-8-enal?
2-methyl-5-propan-2-yloxynon-8-enal has a molecular weight of 212.33 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yloxynon-8-enal is sourced from PubChem (CID 139996371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).