(5R,6R)-5-ethenyl-5-propyldodecan-6-ol

C17H34O — CID 10354987

IUPAC(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
SMILESC=C[C@@](CCC)(CCCC)[C@H](O)CCCCCC
InChIInChI=1S/C17H34O/c1-5-9-11-12-13-16(18)17(8-4,14-7-3)15-10-6-2/h8,16,18H,4-7,9-15H2,1-3H3/t16-,17-/m1/s1
InChIKeyDIQMLCSEARCGSF-IAGOWNOFSA-N
MW254.46 g/mol
LogP5.48
Rot. Bonds12

About (5R,6R)-5-ethenyl-5-propyldodecan-6-ol

(5R,6R)-5-ethenyl-5-propyldodecan-6-ol (PubChem CID 10354987) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is (5R,6R)-5-ethenyl-5-propyldodecan-6-ol.

Molecular Properties

Compound Name(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
PubChem CID10354987
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
SMILESC=C[C@@](CCC)(CCCC)[C@H](O)CCCCCC
InChIInChI=1S/C17H34O/c1-5-9-11-12-13-16(18)17(8-4,14-7-3)15-10-6-2/h8,16,18H,4-7,9-15H2,1-3H3/t16-,17-/m1/s1
InChIKeyDIQMLCSEARCGSF-IAGOWNOFSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(3R,4S)-3-ethyl-3-methyldec-1-en-4-ol
CID 100923980
5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine
CID 161301643
2-amino-2-ethenyloctadecane-1,3-diol
CID 19927065
5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine
CID 157119798
(3-ethenyl-2,2,3,4-tetrahydroxynonadecyl)azanium chloride
CID 140985364
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
1-iodo-3-methyldec-1-ene-3,4-diol
CID 57012845
7-heptyltetradecane-6,7,8-triol
CID 57173572
10-heptylicosane-9,10,11-triol
CID 91021869

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-ethenyl-5-propyldodecan-6-ol?
The IUPAC name of (5R,6R)-5-ethenyl-5-propyldodecan-6-ol (CID 10354987) is (5R,6R)-5-ethenyl-5-propyldodecan-6-ol.
What is the SMILES notation for (5R,6R)-5-ethenyl-5-propyldodecan-6-ol?
The canonical SMILES for (5R,6R)-5-ethenyl-5-propyldodecan-6-ol is C=C[C@@](CCC)(CCCC)[C@H](O)CCCCCC.
What is the InChIKey of (5R,6R)-5-ethenyl-5-propyldodecan-6-ol?
The InChIKey is DIQMLCSEARCGSF-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H34O/c1-5-9-11-12-13-16(18)17(8-4,14-7-3)15-10-6-2/h8,16,18H,4-7,9-15H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of (5R,6R)-5-ethenyl-5-propyldodecan-6-ol?
(5R,6R)-5-ethenyl-5-propyldodecan-6-ol has a molecular weight of 254.46 g/mol, XLogP of 5.48, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-ethenyl-5-propyldodecan-6-ol is sourced from PubChem (CID 10354987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).