(Z)-2-methyl-2-nitrododec-9-en-3-ol

C13H25NO3 — CID 24976754

IUPAC(Z)-2-methyl-2-nitrododec-9-en-3-ol
SMILESCC/C=C\CCCCCC(O)C(C)(C)[N+](=O)[O-]
InChIInChI=1S/C13H25NO3/c1-4-5-6-7-8-9-10-11-12(15)13(2,3)14(16)17/h5-6,12,15H,4,7-11H2,1-3H3/b6-5-
InChIKeyAQIJDOVEOBZSJP-WAYWQWQTSA-N
MW243.35 g/mol
LogP3.32
Rot. Bonds9

About (Z)-2-methyl-2-nitrododec-9-en-3-ol

(Z)-2-methyl-2-nitrododec-9-en-3-ol (PubChem CID 24976754) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (Z)-2-methyl-2-nitrododec-9-en-3-ol.

Molecular Properties

Compound Name(Z)-2-methyl-2-nitrododec-9-en-3-ol
PubChem CID24976754
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(Z)-2-methyl-2-nitrododec-9-en-3-ol
SMILESCC/C=C\CCCCCC(O)C(C)(C)[N+](=O)[O-]
InChIInChI=1S/C13H25NO3/c1-4-5-6-7-8-9-10-11-12(15)13(2,3)14(16)17/h5-6,12,15H,4,7-11H2,1-3H3/b6-5-
InChIKeyAQIJDOVEOBZSJP-WAYWQWQTSA-N
XLogP3.32
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

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CID 123994448
(8E,11E,14E,17E)-2-nitroicosa-8,11,14,17-tetraenoic acid
CID 89405287
(E)-undec-8-en-2-ol
CID 118316981
(Z)-non-6-ene-1,1-diol
CID 170555028
(E,3R)-2,2-dimethylheptadec-7-en-3-ol
CID 176767686
(E,2R)-dec-7-en-2-ol
CID 89151124
(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
CID 121330977
(3E,16E)-nonadeca-3,16-diene
CID 157471321
tert-butyl 3-(nitromethyl)icosa-11,14,17-trienoate
CID 140760649
10-methylundec-3-ene
CID 544769
2-propylpentadec-12-enamide
CID 140789698
(9E,12E,15E)-2-ethyloctadeca-9,12,15-trienoic acid
CID 22321183

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-2-nitrododec-9-en-3-ol?
The IUPAC name of (Z)-2-methyl-2-nitrododec-9-en-3-ol (CID 24976754) is (Z)-2-methyl-2-nitrododec-9-en-3-ol.
What is the SMILES notation for (Z)-2-methyl-2-nitrododec-9-en-3-ol?
The canonical SMILES for (Z)-2-methyl-2-nitrododec-9-en-3-ol is CC/C=C\CCCCCC(O)C(C)(C)[N+](=O)[O-].
What is the InChIKey of (Z)-2-methyl-2-nitrododec-9-en-3-ol?
The InChIKey is AQIJDOVEOBZSJP-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-5-6-7-8-9-10-11-12(15)13(2,3)14(16)17/h5-6,12,15H,4,7-11H2,1-3H3/b6-5-.
What are the key properties of (Z)-2-methyl-2-nitrododec-9-en-3-ol?
(Z)-2-methyl-2-nitrododec-9-en-3-ol has a molecular weight of 243.35 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-2-nitrododec-9-en-3-ol is sourced from PubChem (CID 24976754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).