3-hydroxy-3,7-dimethyloct-7-enal

C10H18O2 — CID 13277156

IUPAC3-hydroxy-3,7-dimethyloct-7-enal
SMILESC=C(C)CCCC(C)(O)CC=O
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12)7-8-11/h8,12H,1,4-7H2,2-3H3
InChIKeyWNUWPSASHCEEIW-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds6

About 3-hydroxy-3,7-dimethyloct-7-enal

3-hydroxy-3,7-dimethyloct-7-enal (PubChem CID 13277156) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-hydroxy-3,7-dimethyloct-7-enal.

Molecular Properties

Compound Name3-hydroxy-3,7-dimethyloct-7-enal
PubChem CID13277156
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-hydroxy-3,7-dimethyloct-7-enal
SMILESC=C(C)CCCC(C)(O)CC=O
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12)7-8-11/h8,12H,1,4-7H2,2-3H3
InChIKeyWNUWPSASHCEEIW-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3,7-dimethyloct-7-enal?
The IUPAC name of 3-hydroxy-3,7-dimethyloct-7-enal (CID 13277156) is 3-hydroxy-3,7-dimethyloct-7-enal.
What is the SMILES notation for 3-hydroxy-3,7-dimethyloct-7-enal?
The canonical SMILES for 3-hydroxy-3,7-dimethyloct-7-enal is C=C(C)CCCC(C)(O)CC=O.
What is the InChIKey of 3-hydroxy-3,7-dimethyloct-7-enal?
The InChIKey is WNUWPSASHCEEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12)7-8-11/h8,12H,1,4-7H2,2-3H3.
What are the key properties of 3-hydroxy-3,7-dimethyloct-7-enal?
3-hydroxy-3,7-dimethyloct-7-enal has a molecular weight of 170.25 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3,7-dimethyloct-7-enal is sourced from PubChem (CID 13277156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).