1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol

C11H17NO3 — CID 131863080

IUPAC1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol
SMILESCCCCCC(O)c1ccc(/C=N\O)o1
InChIInChI=1S/C11H17NO3/c1-2-3-4-5-10(13)11-7-6-9(15-11)8-12-14/h6-8,10,13-14H,2-5H2,1H3/b12-8-
InChIKeyAYTVSPZRMSVQDC-WQLSENKSSA-N
MW211.26 g/mol
LogP2.70
Rot. Bonds6

About 1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol

1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol (PubChem CID 131863080) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol.

Molecular Properties

Compound Name1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol
PubChem CID131863080
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol
SMILESCCCCCC(O)c1ccc(/C=N\O)o1
InChIInChI=1S/C11H17NO3/c1-2-3-4-5-10(13)11-7-6-9(15-11)8-12-14/h6-8,10,13-14H,2-5H2,1H3/b12-8-
InChIKeyAYTVSPZRMSVQDC-WQLSENKSSA-N
XLogP2.70
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.70
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine
CID 13205479
1-(5-bromofuran-2-yl)nonan-1-ol
CID 12603007
1-(5-ethylfuran-2-yl)undecan-1-ol
CID 65150077
N-[(5-propylfuran-2-yl)methylidene]hydroxylamine
CID 71322162
5-(1-hydroxyheptyl)furan-2-carboxylic acid
CID 12718415
1-(5-ethylfuran-2-yl)pentan-1-ol
CID 65149618
1-[5-(2-methylcyclopropyl)furan-2-yl]pentan-1-ol
CID 65148004
5-(1-hydroxypentyl)furan-2-carboxylic acid
CID 103691557
1-(furan-2-yl)decan-1-ol
CID 11085452
1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol
CID 173065274
1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol
CID 173167260
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol?
The IUPAC name of 1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol (CID 131863080) is 1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol.
What is the SMILES notation for 1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol?
The canonical SMILES for 1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol is CCCCCC(O)c1ccc(/C=N\O)o1.
What is the InChIKey of 1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol?
The InChIKey is AYTVSPZRMSVQDC-WQLSENKSSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-4-5-10(13)11-7-6-9(15-11)8-12-14/h6-8,10,13-14H,2-5H2,1H3/b12-8-.
What are the key properties of 1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol?
1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol is sourced from PubChem (CID 131863080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).