14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol

C21H42O3 — CID 66919588

IUPAC14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol
SMILESCOCC1(CCCCCC(O)CCCCCC(C)(C)CCO)CC1
InChIInChI=1S/C21H42O3/c1-20(2,16-17-22)12-8-4-6-10-19(23)11-7-5-9-13-21(14-15-21)18-24-3/h19,22-23H,4-18H2,1-3H3
InChIKeyUYKUVMSNGZJCDF-UHFFFAOYSA-N
MW342.56 g/mol
LogP5.08
Rot. Bonds16

About 14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol

14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol (PubChem CID 66919588) has the molecular formula C21H42O3 and a molecular weight of 342.56 g/mol. Its IUPAC name is 14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol.

Molecular Properties

Compound Name14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol
PubChem CID66919588
Molecular FormulaC21H42O3
Molecular Weight342.56 g/mol
Exact Mass342.31
IUPAC Name14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol
SMILESCOCC1(CCCCCC(O)CCCCCC(C)(C)CCO)CC1
InChIInChI=1S/C21H42O3/c1-20(2,16-17-22)12-8-4-6-10-19(23)11-7-5-9-13-21(14-15-21)18-24-3/h19,22-23H,4-18H2,1-3H3
InChIKeyUYKUVMSNGZJCDF-UHFFFAOYSA-N
XLogP5.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,15,15-tetramethylheptadecane-1,9,17-triol
CID 59660187
2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid
CID 66921109
(9-hydroxy-3,3,15,15-tetramethyloctadecyl) formate
CID 58097483
[1-[9-(1-ethylcyclopropyl)-5-hydroxynonyl]cyclopropyl]methyl formate
CID 87199410
2,2,16,16-tetramethylheptadecane-1,9,17-triol;2,2,18,18-tetramethylicosane-1,10-diol
CID 159939869
2,2-dimethylpentadecane-1,8-diol
CID 59660181
1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol
CID 58080307
16-methoxy-3,15-dimethyl-3,15-diphenylhexadecane-1,9-diol
CID 70661516
1-hexyl-1-(methoxymethyl)cyclopentane
CID 143807105
1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 70929941
1-methoxy-8,8-dimethylnonan-2-ol
CID 147170172
2,14-dimethylpentadecane-2,8,14-triol
CID 88582277

Frequently Asked Questions

What is the IUPAC name of 14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol?
The IUPAC name of 14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol (CID 66919588) is 14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol.
What is the SMILES notation for 14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol?
The canonical SMILES for 14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol is COCC1(CCCCCC(O)CCCCCC(C)(C)CCO)CC1.
What is the InChIKey of 14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol?
The InChIKey is UYKUVMSNGZJCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3/c1-20(2,16-17-22)12-8-4-6-10-19(23)11-7-5-9-13-21(14-15-21)18-24-3/h19,22-23H,4-18H2,1-3H3.
What are the key properties of 14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol?
14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol has a molecular weight of 342.56 g/mol, XLogP of 5.08, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[1-(methoxymethyl)cyclopropyl]-3,3-dimethyltetradecane-1,9-diol is sourced from PubChem (CID 66919588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).