4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol

C12H22O2 — CID 106590447

IUPAC4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol
SMILESCC1(C)CC(O)(CCC2CC2)CCO1
InChIInChI=1S/C12H22O2/c1-11(2)9-12(13,7-8-14-11)6-5-10-3-4-10/h10,13H,3-9H2,1-2H3
InChIKeyXANDCOUBTSGTOM-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.50
Rot. Bonds3

About 4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol

4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol (PubChem CID 106590447) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol.

Molecular Properties

Compound Name4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol
PubChem CID106590447
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol
SMILESCC1(C)CC(O)(CCC2CC2)CCO1
InChIInChI=1S/C12H22O2/c1-11(2)9-12(13,7-8-14-11)6-5-10-3-4-10/h10,13H,3-9H2,1-2H3
InChIKeyXANDCOUBTSGTOM-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol
CID 106590452
1-(2-cyclopropylethyl)cyclopropan-1-ol
CID 91129908
2,2-dimethyl-4-(3-methylsulfonylpropyl)oxan-4-ol
CID 65149000
1-(2-cyclopropylethyl)cyclohexan-1-ol
CID 106590346
2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol
CID 65149154
1-(2-cyclopropylethyl)-3,3,5-trimethylcyclohexan-1-ol
CID 106590352
ethyl 2-[(4S)-4-hydroxy-2,2-dimethyloxan-4-yl]acetate
CID 793360
4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol
CID 65478285
2,2-dimethyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149211
4-[2-[(4-methoxyphenyl)methylamino]ethyl]-2,2-dimethyloxan-4-ol
CID 3105290
3-amino-1-(2-cyclopropylethyl)cyclobutan-1-ol
CID 106590534
2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol
CID 64748775

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol?
The IUPAC name of 4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol (CID 106590447) is 4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol.
What is the SMILES notation for 4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol?
The canonical SMILES for 4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol is CC1(C)CC(O)(CCC2CC2)CCO1.
What is the InChIKey of 4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol?
The InChIKey is XANDCOUBTSGTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2)9-12(13,7-8-14-11)6-5-10-3-4-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol?
4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol has a molecular weight of 198.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol is sourced from PubChem (CID 106590447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).