1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol

C9H18O2 — CID 116713582

IUPAC1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)C1CC1
InChIInChI=1S/C9H18O2/c1-4-11-9(2,3)8(10)7-5-6-7/h7-8,10H,4-6H2,1-3H3
InChIKeyKEBBNAKNAAKVIW-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds4

About 1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol

1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol (PubChem CID 116713582) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol
PubChem CID116713582
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)C1CC1
InChIInChI=1S/C9H18O2/c1-4-11-9(2,3)8(10)7-5-6-7/h7-8,10H,4-6H2,1-3H3
InChIKeyKEBBNAKNAAKVIW-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol
CID 116752277
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568
1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 64748582
2-(aminomethyl)-1-cyclopropyl-2-methylbutan-1-ol
CID 79137698
2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol
CID 65424304
2,2-dichloro-1-cyclopropyl-2-ethylsulfonylethanol
CID 102550216
1-cyclopropyl-2-ethoxy-2-methylbutan-1-amine
CID 116758654
1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine
CID 116726355
1,3-dicyclopropyl-2,2-dimethylpropan-1-ol
CID 141352215
1-cyclopropyl-2,2,3-trimethylbutan-1-ol
CID 89233479
ethyl 3-(4-tert-butylcyclohexyl)-2,2-difluoro-3-hydroxypropanoate
CID 104575915
[2-ethoxy-1-(4-ethylcyclohexyl)-2-methylpropyl]hydrazine
CID 105274085

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol?
The IUPAC name of 1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol (CID 116713582) is 1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol is CCOC(C)(C)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol?
The InChIKey is KEBBNAKNAAKVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-11-9(2,3)8(10)7-5-6-7/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol?
1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol is sourced from PubChem (CID 116713582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).