sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate

C10H19NaO — CID 140986186

IUPACsodium 1-methyl-4-propan-2-ylcyclohexan-1-olate
SMILESCC(C)C1CCC(C)([O-])CC1.[Na+]
InChIInChI=1S/C10H19O.Na/c1-8(2)9-4-6-10(3,11)7-5-9;/h8-9H,4-7H2,1-3H3;/q-1;+1
InChIKeyUZDQAJJHDRILLH-UHFFFAOYSA-N
MW178.25 g/mol
LogP-1.04
Rot. Bonds1

About sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate

sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate (PubChem CID 140986186) has the molecular formula C10H19NaO and a molecular weight of 178.25 g/mol. Its IUPAC name is sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate.

Molecular Properties

Compound Namesodium 1-methyl-4-propan-2-ylcyclohexan-1-olate
PubChem CID140986186
Molecular FormulaC10H19NaO
Molecular Weight178.25 g/mol
Exact Mass178.13
IUPAC Namesodium 1-methyl-4-propan-2-ylcyclohexan-1-olate
SMILESCC(C)C1CCC(C)([O-])CC1.[Na+]
InChIInChI=1S/C10H19O.Na/c1-8(2)9-4-6-10(3,11)7-5-9;/h8-9H,4-7H2,1-3H3;/q-1;+1
InChIKeyUZDQAJJHDRILLH-UHFFFAOYSA-N
XLogP-1.04
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-1-methyl-4-propan-2-ylcyclohexane
CID 90475813
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
CID 174102089
CID 174102089
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
(4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 14607137
(5R)-2,2-dimethyl-5-propan-2-ylpiperidine
CID 139339152
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761
1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde
CID 130035277
CID 174063087
CID 174063087
propan-2-ylcyclopropane;hydroiodide
CID 162314014
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949

Frequently Asked Questions

What is the IUPAC name of sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate?
The IUPAC name of sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate (CID 140986186) is sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate.
What is the SMILES notation for sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate?
The canonical SMILES for sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate is CC(C)C1CCC(C)([O-])CC1.[Na+].
What is the InChIKey of sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate?
The InChIKey is UZDQAJJHDRILLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O.Na/c1-8(2)9-4-6-10(3,11)7-5-9;/h8-9H,4-7H2,1-3H3;/q-1;+1.
What are the key properties of sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate?
sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate has a molecular weight of 178.25 g/mol, XLogP of -1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate is sourced from PubChem (CID 140986186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).