2-tert-butyl-5-methoxy-3-methylpentan-1-ol

C11H24O2 — CID 116500263

IUPAC2-tert-butyl-5-methoxy-3-methylpentan-1-ol
SMILESCOCCC(C)C(CO)C(C)(C)C
InChIInChI=1S/C11H24O2/c1-9(6-7-13-5)10(8-12)11(2,3)4/h9-10,12H,6-8H2,1-5H3
InChIKeyOMGOLPUSWQABGX-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.31
Rot. Bonds5

About 2-tert-butyl-5-methoxy-3-methylpentan-1-ol

2-tert-butyl-5-methoxy-3-methylpentan-1-ol (PubChem CID 116500263) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-tert-butyl-5-methoxy-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-5-methoxy-3-methylpentan-1-ol
PubChem CID116500263
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-tert-butyl-5-methoxy-3-methylpentan-1-ol
SMILESCOCCC(C)C(CO)C(C)(C)C
InChIInChI=1S/C11H24O2/c1-9(6-7-13-5)10(8-12)11(2,3)4/h9-10,12H,6-8H2,1-5H3
InChIKeyOMGOLPUSWQABGX-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethoxy-3,6,6-trimethylheptan-4-ol
CID 116713153
(2R,3R)-2-tert-butylbutane-1,3-diol
CID 130875364
1,5-dimethoxy-3,5-dimethylheptan-4-ol
CID 116752012
methyl 4-(1-hydroxypropan-2-yl)-5,5-dimethylhexanoate
CID 174747594
2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
CID 115595179
1,2-dimethoxyethane;propane-1,2-diol
CID 87359366
(4,4-dimethyl-3-propan-2-ylpentoxy)methanol
CID 20782675
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895048
5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol
CID 116752304
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methoxy-3-methylpentan-1-ol?
The IUPAC name of 2-tert-butyl-5-methoxy-3-methylpentan-1-ol (CID 116500263) is 2-tert-butyl-5-methoxy-3-methylpentan-1-ol.
What is the SMILES notation for 2-tert-butyl-5-methoxy-3-methylpentan-1-ol?
The canonical SMILES for 2-tert-butyl-5-methoxy-3-methylpentan-1-ol is COCCC(C)C(CO)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-methoxy-3-methylpentan-1-ol?
The InChIKey is OMGOLPUSWQABGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-9(6-7-13-5)10(8-12)11(2,3)4/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-5-methoxy-3-methylpentan-1-ol?
2-tert-butyl-5-methoxy-3-methylpentan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methoxy-3-methylpentan-1-ol is sourced from PubChem (CID 116500263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).