1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol

C10H20O2 — CID 116713007

IUPAC1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol
SMILESCOC(C(O)C1CC1)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-10(2,3)9(12-4)8(11)7-5-6-7/h7-9,11H,5-6H2,1-4H3
InChIKeyKEIMWJUUURJOTG-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds3

About 1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol

1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol (PubChem CID 116713007) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol
PubChem CID116713007
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol
SMILESCOC(C(O)C1CC1)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-10(2,3)9(12-4)8(11)7-5-6-7/h7-9,11H,5-6H2,1-4H3
InChIKeyKEIMWJUUURJOTG-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712985
4-methoxy-2,5,5-trimethylhexan-3-ol
CID 116713037
1,3-dimethoxy-4,4-dimethylpentan-2-ol
CID 116713162
1-cyclopropyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724204
(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane
CID 57231071
(1-cyclohexyl-2-methoxy-3,3-dimethylbutyl)hydrazine
CID 105273420
2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 113428536
1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine
CID 116724473
2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 116724128
(1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-yl)hydrazine
CID 105273349
1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
CID 114519159
ethane-1,1,1-triol;methoxymethanediol
CID 158946660

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol (CID 116713007) is 1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol is COC(C(O)C1CC1)C(C)(C)C.
What is the InChIKey of 1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol?
The InChIKey is KEIMWJUUURJOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)9(12-4)8(11)7-5-6-7/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol?
1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 116713007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).