(5S)-3,5-dihydroxydecanenitrile

C10H19NO2 — CID 71379501

IUPAC(5S)-3,5-dihydroxydecanenitrile
SMILESCCCCC[C@H](O)CC(O)CC#N
InChIInChI=1S/C10H19NO2/c1-2-3-4-5-9(12)8-10(13)6-7-11/h9-10,12-13H,2-6,8H2,1H3/t9-,10?/m0/s1
InChIKeyGCMXOFVXJRXKHL-RGURZIINSA-N
MW185.27 g/mol
LogP1.59
Rot. Bonds7

About (5S)-3,5-dihydroxydecanenitrile

(5S)-3,5-dihydroxydecanenitrile (PubChem CID 71379501) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (5S)-3,5-dihydroxydecanenitrile.

Molecular Properties

Compound Name(5S)-3,5-dihydroxydecanenitrile
PubChem CID71379501
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(5S)-3,5-dihydroxydecanenitrile
SMILESCCCCC[C@H](O)CC(O)CC#N
InChIInChI=1S/C10H19NO2/c1-2-3-4-5-9(12)8-10(13)6-7-11/h9-10,12-13H,2-6,8H2,1H3/t9-,10?/m0/s1
InChIKeyGCMXOFVXJRXKHL-RGURZIINSA-N
XLogP1.59
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-hydroxynonanenitrile
CID 11298091
hentriacontane-14,16-diol
CID 87514654
(5S,7R)-dodecane-5,7-diol
CID 12060471
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
(6S,8S)-heptacosane-6,8-diol
CID 10693038
(5R,7S)-undecane-5,7-diol
CID 10899409
4-hydroxydodecanenitrile
CID 10488163
(3R,4R)-3,4-dihydroxypentadecanenitrile
CID 101348411
decane-4,6-diol;scandium
CID 164810305
(4S)-2-methylnonan-4-ol
CID 86308805
nonane-3,5-diol;scandium
CID 164810293

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dihydroxydecanenitrile?
The IUPAC name of (5S)-3,5-dihydroxydecanenitrile (CID 71379501) is (5S)-3,5-dihydroxydecanenitrile.
What is the SMILES notation for (5S)-3,5-dihydroxydecanenitrile?
The canonical SMILES for (5S)-3,5-dihydroxydecanenitrile is CCCCC[C@H](O)CC(O)CC#N.
What is the InChIKey of (5S)-3,5-dihydroxydecanenitrile?
The InChIKey is GCMXOFVXJRXKHL-RGURZIINSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-4-5-9(12)8-10(13)6-7-11/h9-10,12-13H,2-6,8H2,1H3/t9-,10?/m0/s1.
What are the key properties of (5S)-3,5-dihydroxydecanenitrile?
(5S)-3,5-dihydroxydecanenitrile has a molecular weight of 185.27 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-dihydroxydecanenitrile is sourced from PubChem (CID 71379501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).