lithium;hydride;pentyl cyclohexanecarboxylate

C12H23LiO2 — CID 173095553

IUPAClithium;hydride;pentyl cyclohexanecarboxylate
SMILESCCCCCOC(=O)C1CCCCC1.[H-].[Li+]
InChIInChI=1S/C12H22O2.Li.H/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11;;/h11H,2-10H2,1H3;;/q;+1;-1
InChIKeyPQVRJWRSTBJANA-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.42
Rot. Bonds5

About lithium;hydride;pentyl cyclohexanecarboxylate

lithium;hydride;pentyl cyclohexanecarboxylate (PubChem CID 173095553) has the molecular formula C12H23LiO2 and a molecular weight of 206.25 g/mol. Its IUPAC name is lithium;hydride;pentyl cyclohexanecarboxylate.

Molecular Properties

Compound Namelithium;hydride;pentyl cyclohexanecarboxylate
PubChem CID173095553
Molecular FormulaC12H23LiO2
Molecular Weight206.25 g/mol
Exact Mass206.19
IUPAC Namelithium;hydride;pentyl cyclohexanecarboxylate
SMILESCCCCCOC(=O)C1CCCCC1.[H-].[Li+]
InChIInChI=1S/C12H22O2.Li.H/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11;;/h11H,2-10H2,1H3;;/q;+1;-1
InChIKeyPQVRJWRSTBJANA-UHFFFAOYSA-N
XLogP0.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonyl cyclopentanecarboxylate
CID 575427
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892346
3-O-pentyl 1-O-tridecyl cyclohexane-1,3-dicarboxylate
CID 90979250
3-O-heptyl 1-O-undecyl cyclohexane-1,3-dicarboxylate
CID 91536693
3-O-butyl 1-O-pentyl cyclohexane-1,3-dicarboxylate
CID 66984581
1-O-cyclohexyl 3-O-decyl cyclohexane-1,3-dicarboxylate
CID 66984479
3-O-butyl 1-O-octyl cyclohexane-1,3-dicarboxylate
CID 66983586
3-O-butyl 1-O-decyl cyclohexane-1,3-dicarboxylate
CID 66983365
dipentyl cyclohexane-1,2-dicarboxylate
CID 54463206

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;pentyl cyclohexanecarboxylate?
The IUPAC name of lithium;hydride;pentyl cyclohexanecarboxylate (CID 173095553) is lithium;hydride;pentyl cyclohexanecarboxylate.
What is the SMILES notation for lithium;hydride;pentyl cyclohexanecarboxylate?
The canonical SMILES for lithium;hydride;pentyl cyclohexanecarboxylate is CCCCCOC(=O)C1CCCCC1.[H-].[Li+].
What is the InChIKey of lithium;hydride;pentyl cyclohexanecarboxylate?
The InChIKey is PQVRJWRSTBJANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.Li.H/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11;;/h11H,2-10H2,1H3;;/q;+1;-1.
What are the key properties of lithium;hydride;pentyl cyclohexanecarboxylate?
lithium;hydride;pentyl cyclohexanecarboxylate has a molecular weight of 206.25 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;pentyl cyclohexanecarboxylate is sourced from PubChem (CID 173095553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).