(5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol

C16H33NO2 — CID 124934755

IUPAC(5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol
SMILESCCCC[C@H](CC)C(=NO)[C@H](O)[C@H](CC)CCCC
InChIInChI=1S/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3/t13-,14+,16+/m0/s1
InChIKeySLCANKHLTWZHRV-SQWLQELKSA-N
MW271.44 g/mol
LogP4.61
Rot. Bonds11

About (5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol

(5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol (PubChem CID 124934755) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is (5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol.

Molecular Properties

Compound Name(5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol
PubChem CID124934755
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name(5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol
SMILESCCCC[C@H](CC)C(=NO)[C@H](O)[C@H](CC)CCCC
InChIInChI=1S/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3/t13-,14+,16+/m0/s1
InChIKeySLCANKHLTWZHRV-SQWLQELKSA-N
XLogP4.61
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,7-diethylundecan-6-ol
CID 89253066
6-ethyl-N-methyl-4-propyldecan-5-imine
CID 143097037
7-ethyl-2-methylundecan-6-ol
CID 115829942
4,5-diethylnonane
CID 21188862
2-ethylheptane-1,1-diol
CID 54525502
5-ethyl-3-methylnonane-3,4-diol
CID 87743678
4-ethyloctane-1,3-diol
CID 57022453
2-ethylhexanoate;tin(2+)
CID 23616604
3-(dibromomethyl)heptane
CID 87164380
5,6-diethyldodecane
CID 90761715
4-ethylnonan-3-ol
CID 135150430
3-ethyl-2-heptan-3-ylheptan-1-ol
CID 170847817

Frequently Asked Questions

What is the IUPAC name of (5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
The IUPAC name of (5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol (CID 124934755) is (5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol.
What is the SMILES notation for (5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
The canonical SMILES for (5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol is CCCC[C@H](CC)C(=NO)[C@H](O)[C@H](CC)CCCC.
What is the InChIKey of (5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
The InChIKey is SLCANKHLTWZHRV-SQWLQELKSA-N. The full InChI is InChI=1S/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3/t13-,14+,16+/m0/s1.
What are the key properties of (5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
(5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol has a molecular weight of 271.44 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol is sourced from PubChem (CID 124934755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).