CID 10501709

C24H34FeO2+2 — CID 10501709

IUPAC—
SMILESOC([C]1[CH][CH][CH][CH]1)C1CCCCC1.OC([C]1[CH][CH][CH][CH]1)C1CCCCC1.[Fe+2]
InChIInChI=1S/2C12H17O.Fe/c2*13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;/h2*4-5,8-10,12-13H,1-3,6-7H2;/q;;+2
InChIKeyCPQGPLSICQVVRU-UHFFFAOYSA-N
MW410.38 g/mol
LogP4.66
Rot. Bonds4

About CID 10501709

CID 10501709 (PubChem CID 10501709) has the molecular formula C24H34FeO2+2 and a molecular weight of 410.38 g/mol.

Molecular Properties

Compound NameCID 10501709
PubChem CID10501709
Molecular FormulaC24H34FeO2+2
Molecular Weight410.38 g/mol
Exact Mass410.19
IUPAC Name—
SMILESOC([C]1[CH][CH][CH][CH]1)C1CCCCC1.OC([C]1[CH][CH][CH][CH]1)C1CCCCC1.[Fe+2]
InChIInChI=1S/2C12H17O.Fe/c2*13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;/h2*4-5,8-10,12-13H,1-3,6-7H2;/q;;+2
InChIKeyCPQGPLSICQVVRU-UHFFFAOYSA-N
XLogP4.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 10501710
CID 10501710
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclohexyl(pyrimidin-2-yl)methanol
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1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
(S)-cyclohexyl(pyridin-4-yl)methanol
CID 166771545
cyclohexyl-[4-(difluoromethyl)phenyl]methanol
CID 115524882
cycloheptyl-(3,5-dimethylphenyl)methanol
CID 65399155
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol
CID 15442794

Frequently Asked Questions

What is the IUPAC name of CID 10501709?
The IUPAC name of CID 10501709 (CID 10501709) is not available.
What is the SMILES notation for CID 10501709?
The canonical SMILES for CID 10501709 is OC([C]1[CH][CH][CH][CH]1)C1CCCCC1.OC([C]1[CH][CH][CH][CH]1)C1CCCCC1.[Fe+2].
What is the InChIKey of CID 10501709?
The InChIKey is CPQGPLSICQVVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17O.Fe/c2*13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;/h2*4-5,8-10,12-13H,1-3,6-7H2;/q;;+2.
What are the key properties of CID 10501709?
CID 10501709 has a molecular weight of 410.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10501709 is sourced from PubChem (CID 10501709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).