7-(hydroxymethyl)undecanal

C12H24O2 — CID 123467970

IUPAC7-(hydroxymethyl)undecanal
SMILESCCCCC(CO)CCCCCC=O
InChIInChI=1S/C12H24O2/c1-2-3-8-12(11-14)9-6-4-5-7-10-13/h10,12,14H,2-9,11H2,1H3
InChIKeyCFSWXGOYWBCBRA-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.93
Rot. Bonds10

About 7-(hydroxymethyl)undecanal

7-(hydroxymethyl)undecanal (PubChem CID 123467970) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 7-(hydroxymethyl)undecanal.

Molecular Properties

Compound Name7-(hydroxymethyl)undecanal
PubChem CID123467970
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name7-(hydroxymethyl)undecanal
SMILESCCCCC(CO)CCCCCC=O
InChIInChI=1S/C12H24O2/c1-2-3-8-12(11-14)9-6-4-5-7-10-13/h10,12,14H,2-9,11H2,1H3
InChIKeyCFSWXGOYWBCBRA-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
7-propyldodecanal
CID 21439180
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-pentyltridecan-1-ol
CID 19896300
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-nonylundecan-1-ol
CID 14397092
6-hydroxydecanal
CID 86178467
ethanol;2-heptylnonan-1-ol
CID 122482877
5-ethylundecanal
CID 54527856
2-ethylhexan-1-ol;2-hexyloctan-1-ol
CID 146216303

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)undecanal?
The IUPAC name of 7-(hydroxymethyl)undecanal (CID 123467970) is 7-(hydroxymethyl)undecanal.
What is the SMILES notation for 7-(hydroxymethyl)undecanal?
The canonical SMILES for 7-(hydroxymethyl)undecanal is CCCCC(CO)CCCCCC=O.
What is the InChIKey of 7-(hydroxymethyl)undecanal?
The InChIKey is CFSWXGOYWBCBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-8-12(11-14)9-6-4-5-7-10-13/h10,12,14H,2-9,11H2,1H3.
What are the key properties of 7-(hydroxymethyl)undecanal?
7-(hydroxymethyl)undecanal has a molecular weight of 200.32 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)undecanal is sourced from PubChem (CID 123467970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).