7-ethenyl-7-hydroxydodecanal

C14H26O2 — CID 57148891

IUPAC7-ethenyl-7-hydroxydodecanal
SMILESC=CC(O)(CCCCC)CCCCCC=O
InChIInChI=1S/C14H26O2/c1-3-5-8-11-14(16,4-2)12-9-6-7-10-13-15/h4,13,16H,2-3,5-12H2,1H3
InChIKeySIUROKCWCFCQCX-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.63
Rot. Bonds11

About 7-ethenyl-7-hydroxydodecanal

7-ethenyl-7-hydroxydodecanal (PubChem CID 57148891) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 7-ethenyl-7-hydroxydodecanal.

Molecular Properties

Compound Name7-ethenyl-7-hydroxydodecanal
PubChem CID57148891
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name7-ethenyl-7-hydroxydodecanal
SMILESC=CC(O)(CCCCC)CCCCCC=O
InChIInChI=1S/C14H26O2/c1-3-5-8-11-14(16,4-2)12-9-6-7-10-13-15/h4,13,16H,2-3,5-12H2,1H3
InChIKeySIUROKCWCFCQCX-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.63
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-Ethenyl-9-hydroxytetradecan-7-one
CID 90778722
3-Ethyl-3-hydroxynon-1-en-4-one
CID 91012435
6-Ethyl-6-hydroxyoct-7-en-3-one
CID 10678750
2-Ethenyl-2-hydroxycyclododecan-1-one
CID 86001279
14-Allyl-14-hydroxy-2,2-dimethyl-16-heptadecenal
CID 19746849
(6S,7R)-7-hydroxy-6-methylnon-8-en-2-one
CID 58373598
2-Ethenyl-2-hydroxyheptanal
CID 87477425
12-Hydroxy-14-methylheptadec-16-enal
CID 88754247
3-Cyclopentyl-3-hydroxypent-4-enal;methoxymethane
CID 143183270
3-Hydroxy-3-methyl-7-methylidenenon-8-enal
CID 143385221
Ethyl 10-ethenyl-10-hydroxydodec-11-enoate
CID 154131871
4-Methyltridec-1-en-3-ol;2-methylundecanal
CID 161224488

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-7-hydroxydodecanal?
The IUPAC name of 7-ethenyl-7-hydroxydodecanal (CID 57148891) is 7-ethenyl-7-hydroxydodecanal.
What is the SMILES notation for 7-ethenyl-7-hydroxydodecanal?
The canonical SMILES for 7-ethenyl-7-hydroxydodecanal is C=CC(O)(CCCCC)CCCCCC=O.
What is the InChIKey of 7-ethenyl-7-hydroxydodecanal?
The InChIKey is SIUROKCWCFCQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-8-11-14(16,4-2)12-9-6-7-10-13-15/h4,13,16H,2-3,5-12H2,1H3.
What are the key properties of 7-ethenyl-7-hydroxydodecanal?
7-ethenyl-7-hydroxydodecanal has a molecular weight of 226.36 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-7-hydroxydodecanal is sourced from PubChem (CID 57148891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).