CID 66630118

C10H20NaO — CID 66630118

IUPAC—
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.[Na]
InChIInChI=1S/C10H20O.Na/c1-7(2)9-5-4-8(3)6-10(9)11;/h7-11H,4-6H2,1-3H3;/t8-,9+,10-;/m1./s1
InChIKeyBLYDRBMKPZHWDI-YMQJAAJZSA-N
MW179.26 g/mol
LogP2.06
Rot. Bonds1

About CID 66630118

CID 66630118 (PubChem CID 66630118) has the molecular formula C10H20NaO and a molecular weight of 179.26 g/mol.

Molecular Properties

Compound NameCID 66630118
PubChem CID66630118
Molecular FormulaC10H20NaO
Molecular Weight179.26 g/mol
Exact Mass179.14
IUPAC Name—
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.[Na]
InChIInChI=1S/C10H20O.Na/c1-7(2)9-5-4-8(3)6-10(9)11;/h7-11H,4-6H2,1-3H3;/t8-,9+,10-;/m1./s1
InChIKeyBLYDRBMKPZHWDI-YMQJAAJZSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze CID 66630118 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 122703177
1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene
CID 134346107
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol
CID 130207945
(2E)-3,7-dimethylocta-2,6-dienal;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 87439428
methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 67919748
2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide
CID 159704935

Frequently Asked Questions

What is the IUPAC name of CID 66630118?
The IUPAC name of CID 66630118 (CID 66630118) is not available.
What is the SMILES notation for CID 66630118?
The canonical SMILES for CID 66630118 is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.[Na].
What is the InChIKey of CID 66630118?
The InChIKey is BLYDRBMKPZHWDI-YMQJAAJZSA-N. The full InChI is InChI=1S/C10H20O.Na/c1-7(2)9-5-4-8(3)6-10(9)11;/h7-11H,4-6H2,1-3H3;/t8-,9+,10-;/m1./s1.
What are the key properties of CID 66630118?
CID 66630118 has a molecular weight of 179.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66630118 is sourced from PubChem (CID 66630118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).