7-hydroxyimino-11-methyltridecan-6-ol

C14H29NO2 — CID 88634534

IUPAC7-hydroxyimino-11-methyltridecan-6-ol
SMILESCCCCCC(O)C(CCCC(C)CC)=NO
InChIInChI=1S/C14H29NO2/c1-4-6-7-11-14(16)13(15-17)10-8-9-12(3)5-2/h12,14,16-17H,4-11H2,1-3H3
InChIKeyJJOMRJZMPMELOR-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.97
Rot. Bonds10

About 7-hydroxyimino-11-methyltridecan-6-ol

7-hydroxyimino-11-methyltridecan-6-ol (PubChem CID 88634534) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 7-hydroxyimino-11-methyltridecan-6-ol.

Molecular Properties

Compound Name7-hydroxyimino-11-methyltridecan-6-ol
PubChem CID88634534
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name7-hydroxyimino-11-methyltridecan-6-ol
SMILESCCCCCC(O)C(CCCC(C)CC)=NO
InChIInChI=1S/C14H29NO2/c1-4-6-7-11-14(16)13(15-17)10-8-9-12(3)5-2/h12,14,16-17H,4-11H2,1-3H3
InChIKeyJJOMRJZMPMELOR-UHFFFAOYSA-N
XLogP3.97
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

What is the IUPAC name of 7-hydroxyimino-11-methyltridecan-6-ol?
The IUPAC name of 7-hydroxyimino-11-methyltridecan-6-ol (CID 88634534) is 7-hydroxyimino-11-methyltridecan-6-ol.
What is the SMILES notation for 7-hydroxyimino-11-methyltridecan-6-ol?
The canonical SMILES for 7-hydroxyimino-11-methyltridecan-6-ol is CCCCCC(O)C(CCCC(C)CC)=NO.
What is the InChIKey of 7-hydroxyimino-11-methyltridecan-6-ol?
The InChIKey is JJOMRJZMPMELOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-6-7-11-14(16)13(15-17)10-8-9-12(3)5-2/h12,14,16-17H,4-11H2,1-3H3.
What are the key properties of 7-hydroxyimino-11-methyltridecan-6-ol?
7-hydroxyimino-11-methyltridecan-6-ol has a molecular weight of 243.39 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyimino-11-methyltridecan-6-ol is sourced from PubChem (CID 88634534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).