6-hydroxy-3,7-dimethyloctanal

C10H20O2 — CID 10241262

IUPAC6-hydroxy-3,7-dimethyloctanal
SMILESCC(CC=O)CCC(O)C(C)C
InChIInChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h7-10,12H,4-6H2,1-3H3
InChIKeyWUQSJCTYRDULCX-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.01
Rot. Bonds6

About 6-hydroxy-3,7-dimethyloctanal

6-hydroxy-3,7-dimethyloctanal (PubChem CID 10241262) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 6-hydroxy-3,7-dimethyloctanal.

Molecular Properties

Compound Name6-hydroxy-3,7-dimethyloctanal
PubChem CID10241262
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name6-hydroxy-3,7-dimethyloctanal
SMILESCC(CC=O)CCC(O)C(C)C
InChIInChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h7-10,12H,4-6H2,1-3H3
InChIKeyWUQSJCTYRDULCX-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,7-dimethyloctanal?
The IUPAC name of 6-hydroxy-3,7-dimethyloctanal (CID 10241262) is 6-hydroxy-3,7-dimethyloctanal.
What is the SMILES notation for 6-hydroxy-3,7-dimethyloctanal?
The canonical SMILES for 6-hydroxy-3,7-dimethyloctanal is CC(CC=O)CCC(O)C(C)C.
What is the InChIKey of 6-hydroxy-3,7-dimethyloctanal?
The InChIKey is WUQSJCTYRDULCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 6-hydroxy-3,7-dimethyloctanal?
6-hydroxy-3,7-dimethyloctanal has a molecular weight of 172.27 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,7-dimethyloctanal is sourced from PubChem (CID 10241262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).