3-hydroxy-3-methyl-7-methylidenenon-8-enal

C11H18O2 — CID 143385221

IUPAC3-hydroxy-3-methyl-7-methylidenenon-8-enal
SMILESC=CC(=C)CCCC(C)(O)CC=O
InChIInChI=1S/C11H18O2/c1-4-10(2)6-5-7-11(3,13)8-9-12/h4,9,13H,1-2,5-8H2,3H3
InChIKeyKMMFNNWVUQLEDI-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.24
Rot. Bonds7

About 3-hydroxy-3-methyl-7-methylidenenon-8-enal

3-hydroxy-3-methyl-7-methylidenenon-8-enal (PubChem CID 143385221) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-7-methylidenenon-8-enal.

Molecular Properties

Compound Name3-hydroxy-3-methyl-7-methylidenenon-8-enal
PubChem CID143385221
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-hydroxy-3-methyl-7-methylidenenon-8-enal
SMILESC=CC(=C)CCCC(C)(O)CC=O
InChIInChI=1S/C11H18O2/c1-4-10(2)6-5-7-11(3,13)8-9-12/h4,9,13H,1-2,5-8H2,3H3
InChIKeyKMMFNNWVUQLEDI-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-3,7-dimethyloct-7-enal
CID 13277156
7-Ethenyl-7-hydroxydodecanal
CID 57148891
3-Hydroxy-4,4-dimethyl-9-methylideneundecanal
CID 57259324
6-Hydroxy-2,6,10-trimethylundec-9-enal
CID 129151777
3-Hydroxy-2-methylnon-8-enal
CID 176380457
2-(1-Hydroxycyclohexyl)-2-methylbut-3-enal
CID 12757844
6-Hydroxy-6-prop-2-enylnon-8-enal
CID 13839941
3-Ethenyl-7-hydroxy-3,7-dimethyloctanal
CID 14610674
(R)-7-Hydroxy-3,7-dimethyl-3-vinyl-octanal
CID 14610675
12-Ethyl-12-hydroxypentadec-14-enal
CID 101806542
(R)-7-Hydroxy-3,7-dimethyl-3-vinyl-
CID 124630692

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-7-methylidenenon-8-enal?
The IUPAC name of 3-hydroxy-3-methyl-7-methylidenenon-8-enal (CID 143385221) is 3-hydroxy-3-methyl-7-methylidenenon-8-enal.
What is the SMILES notation for 3-hydroxy-3-methyl-7-methylidenenon-8-enal?
The canonical SMILES for 3-hydroxy-3-methyl-7-methylidenenon-8-enal is C=CC(=C)CCCC(C)(O)CC=O.
What is the InChIKey of 3-hydroxy-3-methyl-7-methylidenenon-8-enal?
The InChIKey is KMMFNNWVUQLEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-10(2)6-5-7-11(3,13)8-9-12/h4,9,13H,1-2,5-8H2,3H3.
What are the key properties of 3-hydroxy-3-methyl-7-methylidenenon-8-enal?
3-hydroxy-3-methyl-7-methylidenenon-8-enal has a molecular weight of 182.26 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-7-methylidenenon-8-enal is sourced from PubChem (CID 143385221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).