1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol

C12H24O2 — CID 79567542

IUPAC1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol
SMILESCCOCC1(O)CCCC(C)(C)CC1
InChIInChI=1S/C12H24O2/c1-4-14-10-12(13)7-5-6-11(2,3)8-9-12/h13H,4-10H2,1-3H3
InChIKeyYIQIVLCCXULNJG-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds3

About 1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol

1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol (PubChem CID 79567542) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol
PubChem CID79567542
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol
SMILESCCOCC1(O)CCCC(C)(C)CC1
InChIInChI=1S/C12H24O2/c1-4-14-10-12(13)7-5-6-11(2,3)8-9-12/h13H,4-10H2,1-3H3
InChIKeyYIQIVLCCXULNJG-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567262
4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol
CID 65087135
2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119187
1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449768
4-(ethoxymethyl)-1-ethylazepan-4-ol
CID 79568100
1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol
CID 165492132
1-but-3-enyl-4,4-dimethylcycloheptan-1-ol
CID 130913852
1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
CID 65085643
[4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 145208998
3-methyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567780
3-(ethoxymethyl)-1-methylpyrrolidin-3-ol
CID 79567375
3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol
CID 130988152

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol?
The IUPAC name of 1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol (CID 79567542) is 1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol is CCOCC1(O)CCCC(C)(C)CC1.
What is the InChIKey of 1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol?
The InChIKey is YIQIVLCCXULNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-14-10-12(13)7-5-6-11(2,3)8-9-12/h13H,4-10H2,1-3H3.
What are the key properties of 1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol?
1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol is sourced from PubChem (CID 79567542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).