2-ethenyl-2-hydroxycyclododecan-1-one

C14H24O2 — CID 86001279

IUPAC2-ethenyl-2-hydroxycyclododecan-1-one
SMILESC=CC1(O)CCCCCCCCCCC1=O
InChIInChI=1S/C14H24O2/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13(14)15/h2,16H,1,3-12H2
InChIKeyNBZJRKOVVDDDPL-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.39
Rot. Bonds1

About 2-ethenyl-2-hydroxycyclododecan-1-one

2-ethenyl-2-hydroxycyclododecan-1-one (PubChem CID 86001279) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-ethenyl-2-hydroxycyclododecan-1-one.

Molecular Properties

Compound Name2-ethenyl-2-hydroxycyclododecan-1-one
PubChem CID86001279
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-ethenyl-2-hydroxycyclododecan-1-one
SMILESC=CC1(O)CCCCCCCCCCC1=O
InChIInChI=1S/C14H24O2/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13(14)15/h2,16H,1,3-12H2
InChIKeyNBZJRKOVVDDDPL-UHFFFAOYSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethenyl-2-hydroxycyclohexan-1-one
CID 13397600
1-(1-Hydroxycyclohept-2-en-1-yl)nonan-1-one
CID 15413720
9-Ethenyl-9-hydroxytetradecan-7-one
CID 90778722
3-Ethyl-3-hydroxynon-1-en-4-one
CID 91012435
1-[(1R)-1-hydroxycyclohept-2-en-1-yl]nonan-1-one
CID 139248699
6-Ethyl-6-hydroxyoct-7-en-3-one
CID 10678750
trans-(2S,6R)-2-ethenyl-2-hydroxy-6-prop-2-enylcyclohexan-1-one
CID 102011600
cis-(2R,6R)-2-ethenyl-2-hydroxy-6-prop-2-enylcyclohexan-1-one
CID 102373491
3-Cyclohex-1-enyl-3-hydroxy-butan-2-one
CID 16126017
7-Ethenyl-7-hydroxydodecanal
CID 57148891
3-Hydroxy-3,7-dimethyloct-1-en-4-one
CID 88789844
7-Hydroxy-7-prop-2-enyldodecan-6-one
CID 88832433

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-hydroxycyclododecan-1-one?
The IUPAC name of 2-ethenyl-2-hydroxycyclododecan-1-one (CID 86001279) is 2-ethenyl-2-hydroxycyclododecan-1-one.
What is the SMILES notation for 2-ethenyl-2-hydroxycyclododecan-1-one?
The canonical SMILES for 2-ethenyl-2-hydroxycyclododecan-1-one is C=CC1(O)CCCCCCCCCCC1=O.
What is the InChIKey of 2-ethenyl-2-hydroxycyclododecan-1-one?
The InChIKey is NBZJRKOVVDDDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13(14)15/h2,16H,1,3-12H2.
What are the key properties of 2-ethenyl-2-hydroxycyclododecan-1-one?
2-ethenyl-2-hydroxycyclododecan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-hydroxycyclododecan-1-one is sourced from PubChem (CID 86001279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).