6-ethenyltetradecane-6,7-diol

C16H32O2 — CID 57132436

IUPAC6-ethenyltetradecane-6,7-diol
SMILESC=CC(O)(CCCCC)C(O)CCCCCCC
InChIInChI=1S/C16H32O2/c1-4-7-9-10-11-13-15(17)16(18,6-3)14-12-8-5-2/h6,15,17-18H,3-5,7-14H2,1-2H3
InChIKeyVUDZQEIAGPDOEQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.21
Rot. Bonds12

About 6-ethenyltetradecane-6,7-diol

6-ethenyltetradecane-6,7-diol (PubChem CID 57132436) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 6-ethenyltetradecane-6,7-diol.

Molecular Properties

Compound Name6-ethenyltetradecane-6,7-diol
PubChem CID57132436
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name6-ethenyltetradecane-6,7-diol
SMILESC=CC(O)(CCCCC)C(O)CCCCCCC
InChIInChI=1S/C16H32O2/c1-4-7-9-10-11-13-15(17)16(18,6-3)14-12-8-5-2/h6,15,17-18H,3-5,7-14H2,1-2H3
InChIKeyVUDZQEIAGPDOEQ-UHFFFAOYSA-N
XLogP4.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,7R,11R)-7,11,15-trimethyl-3-methylidenehexadecane-1,2-diol
CID 124413846
(3R,4R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene-3,4-diol
CID 162957304
(3R,4R,7S,11R)-3,7,11,15-tetramethylhexadec-1-ene-3,4-diol
CID 162957305
(2S,7S,11S)-7,11,15-trimethyl-3-methylidenehexadecane-1,2-diol
CID 163002811
7,11,15-Trimethyl-3-methylidenehexadecane-1,2-diol
CID 10638889
3-Methylidene-2-pentylheptane-1,2-diol
CID 12022128
(7R,11R)-7,11,15-trimethyl-3-methylidenehexadecane-1,2-diol
CID 21575642
(4S,5S,8R,9R)-5,8-bis(ethenyl)-2,11-dimethyldodecane-4,9-diol
CID 9971038
(5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol
CID 10107840
7-Ethenyltetradecan-6-ol
CID 13859940
(E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol
CID 14185832
3-Methylidene-7,11,15-trimethylhexadecan-1,2,4-triol
CID 85850682

Frequently Asked Questions

What is the IUPAC name of 6-ethenyltetradecane-6,7-diol?
The IUPAC name of 6-ethenyltetradecane-6,7-diol (CID 57132436) is 6-ethenyltetradecane-6,7-diol.
What is the SMILES notation for 6-ethenyltetradecane-6,7-diol?
The canonical SMILES for 6-ethenyltetradecane-6,7-diol is C=CC(O)(CCCCC)C(O)CCCCCCC.
What is the InChIKey of 6-ethenyltetradecane-6,7-diol?
The InChIKey is VUDZQEIAGPDOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-7-9-10-11-13-15(17)16(18,6-3)14-12-8-5-2/h6,15,17-18H,3-5,7-14H2,1-2H3.
What are the key properties of 6-ethenyltetradecane-6,7-diol?
6-ethenyltetradecane-6,7-diol has a molecular weight of 256.43 g/mol, XLogP of 4.21, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyltetradecane-6,7-diol is sourced from PubChem (CID 57132436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).