(E)-7-nitrodec-7-en-1-ol

C10H19NO3 — CID 6433081

IUPAC(E)-7-nitrodec-7-en-1-ol
SMILESCC/C=C(\CCCCCCO)[N+](=O)[O-]
InChIInChI=1S/C10H19NO3/c1-2-7-10(11(13)14)8-5-3-4-6-9-12/h7,12H,2-6,8-9H2,1H3/b10-7+
InChIKeyUWNFUXZRPSLANA-JXMROGBWSA-N
MW201.27 g/mol
LogP2.50
Rot. Bonds8

About (E)-7-nitrodec-7-en-1-ol

(E)-7-nitrodec-7-en-1-ol (PubChem CID 6433081) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (E)-7-nitrodec-7-en-1-ol.

Molecular Properties

Compound Name(E)-7-nitrodec-7-en-1-ol
PubChem CID6433081
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(E)-7-nitrodec-7-en-1-ol
SMILESCC/C=C(\CCCCCCO)[N+](=O)[O-]
InChIInChI=1S/C10H19NO3/c1-2-7-10(11(13)14)8-5-3-4-6-9-12/h7,12H,2-6,8-9H2,1H3/b10-7+
InChIKeyUWNFUXZRPSLANA-JXMROGBWSA-N
XLogP2.50
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-nitropent-2-en-1-ol
CID 6509824
6-nitroundec-5-ene
CID 543366
2-nitrooct-1-en-1-ol
CID 88545511
(Z)-10-nitroicos-9-enal
CID 89267084
(9E,12Z,15Z)-9-nitrooctadeca-9,12,15-trienal
CID 173492351
10-nitrohexadec-9-enoic acid
CID 74955183
8-nitropentadec-8-enoic acid
CID 123226831
(E)-10-nitrooctadec-9-enoate
CID 170987938
(E)-8-nitrooctadec-8-enoic acid
CID 132533017
3-[(9Z,12E,15Z)-9,15-dinitrooctadeca-9,12,15-trienyl]sulfanylpropanoic acid
CID 87276088
(9Z,12Z,15E)-15-nitrooctadeca-9,12,15-trienoic acid
CID 90092242
(9E,12E,15Z)-9,12-dinitrooctadeca-9,12,15-trienal
CID 173492206

Frequently Asked Questions

What is the IUPAC name of (E)-7-nitrodec-7-en-1-ol?
The IUPAC name of (E)-7-nitrodec-7-en-1-ol (CID 6433081) is (E)-7-nitrodec-7-en-1-ol.
What is the SMILES notation for (E)-7-nitrodec-7-en-1-ol?
The canonical SMILES for (E)-7-nitrodec-7-en-1-ol is CC/C=C(\CCCCCCO)[N+](=O)[O-].
What is the InChIKey of (E)-7-nitrodec-7-en-1-ol?
The InChIKey is UWNFUXZRPSLANA-JXMROGBWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-7-10(11(13)14)8-5-3-4-6-9-12/h7,12H,2-6,8-9H2,1H3/b10-7+.
What are the key properties of (E)-7-nitrodec-7-en-1-ol?
(E)-7-nitrodec-7-en-1-ol has a molecular weight of 201.27 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-nitrodec-7-en-1-ol is sourced from PubChem (CID 6433081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).