(7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol

C17H32F3NO3 — CID 134183743

IUPAC(7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol
SMILESCCCC(C)(O)CCCC/C(CCCCC(O)C(F)(F)F)=N/OC
InChIInChI=1S/C17H32F3NO3/c1-4-12-16(2,23)13-8-7-10-14(21-24-3)9-5-6-11-15(22)17(18,19)20/h15,22-23H,4-13H2,1-3H3/b21-14+
InChIKeyMTTWZHHHSMNKFI-KGENOOAVSA-N
MW355.44 g/mol
LogP4.58
Rot. Bonds13

About (7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol

(7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol (PubChem CID 134183743) has the molecular formula C17H32F3NO3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol.

Molecular Properties

Compound Name(7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol
PubChem CID134183743
Molecular FormulaC17H32F3NO3
Molecular Weight355.44 g/mol
Exact Mass355.23
IUPAC Name(7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol
SMILESCCCC(C)(O)CCCC/C(CCCCC(O)C(F)(F)F)=N/OC
InChIInChI=1S/C17H32F3NO3/c1-4-12-16(2,23)13-8-7-10-14(21-24-3)9-5-6-11-15(22)17(18,19)20/h15,22-23H,4-13H2,1-3H3/b21-14+
InChIKeyMTTWZHHHSMNKFI-KGENOOAVSA-N
XLogP4.58
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Dodecanone, 5,8-diethyl-7-hydroxy-, oxime
CID 5361049
5,8-Diethyl-7-hydroxydodecan-6-one oxime
CID 38274
8-Diethyl-7-hydroxy-6-dodecanone oxime
CID 88690740
(7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol
CID 134183387
(2S,7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol
CID 135208072
5,8-Diethyl-7-hydroxy-6-dodecanonoxime; 5,8-Diethyl-7-hydroxydodecan-6-oxime; 5,8-Diethyl-7-hydroxydodecane-6-oxime; LIX 63
CID 5371503
(7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol
CID 22789039
(6E)-6-hydroxyimino-2-methylheptadecan-4-ol
CID 87233868
6-Hydroxyimino-2-methylheptadecan-4-ol
CID 87233869
5,10-Diethyl-8-hydroxyiminotetradecan-7-ol
CID 88436960
5,9-Diethyl-7-hydroxyiminododecan-6-ol
CID 88594778
14-Ethyl-8-hydroxyiminohexadecan-7-ol
CID 88749187

Frequently Asked Questions

What is the IUPAC name of (7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol?
The IUPAC name of (7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol (CID 134183743) is (7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol.
What is the SMILES notation for (7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol?
The canonical SMILES for (7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol is CCCC(C)(O)CCCC/C(CCCCC(O)C(F)(F)F)=N/OC.
What is the InChIKey of (7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol?
The InChIKey is MTTWZHHHSMNKFI-KGENOOAVSA-N. The full InChI is InChI=1S/C17H32F3NO3/c1-4-12-16(2,23)13-8-7-10-14(21-24-3)9-5-6-11-15(22)17(18,19)20/h15,22-23H,4-13H2,1-3H3/b21-14+.
What are the key properties of (7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol?
(7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol has a molecular weight of 355.44 g/mol, XLogP of 4.58, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol is sourced from PubChem (CID 134183743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).