2-methyl-1-(3-methylbutoxy)pentan-1-ol

C11H24O2 — CID 57131480

IUPAC2-methyl-1-(3-methylbutoxy)pentan-1-ol
SMILESCCCC(C)C(O)OCCC(C)C
InChIInChI=1S/C11H24O2/c1-5-6-10(4)11(12)13-8-7-9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyYUFIYTQKDVIRQQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.80
Rot. Bonds7

About 2-methyl-1-(3-methylbutoxy)pentan-1-ol

2-methyl-1-(3-methylbutoxy)pentan-1-ol (PubChem CID 57131480) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutoxy)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutoxy)pentan-1-ol
PubChem CID57131480
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-methyl-1-(3-methylbutoxy)pentan-1-ol
SMILESCCCC(C)C(O)OCCC(C)C
InChIInChI=1S/C11H24O2/c1-5-6-10(4)11(12)13-8-7-9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyYUFIYTQKDVIRQQ-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methylbutoxymethanediol
CID 54490534
1-(3-methylbutoxy)pentan-1-ol
CID 87974594
(2R)-3-methylhexan-2-ol
CID 88692749
1-methoxy-5-methyloctan-4-ol
CID 114852186
3-methyl-1-propan-2-yloxybutane;propane-1,2-diol
CID 88620872
2-methylpentane
CID 7892
4-methyl-3-propan-2-ylheptan-2-ol
CID 107885963
(3R)-3,4-dimethylheptane
CID 59819300
2-methyl-1-sulfanylpentan-1-ol
CID 154061587
(4R)-4-methylheptan-3-ol
CID 12799251
2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane
CID 165015674
2,4,6-trimethylnonan-5-ol
CID 156689482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutoxy)pentan-1-ol?
The IUPAC name of 2-methyl-1-(3-methylbutoxy)pentan-1-ol (CID 57131480) is 2-methyl-1-(3-methylbutoxy)pentan-1-ol.
What is the SMILES notation for 2-methyl-1-(3-methylbutoxy)pentan-1-ol?
The canonical SMILES for 2-methyl-1-(3-methylbutoxy)pentan-1-ol is CCCC(C)C(O)OCCC(C)C.
What is the InChIKey of 2-methyl-1-(3-methylbutoxy)pentan-1-ol?
The InChIKey is YUFIYTQKDVIRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-6-10(4)11(12)13-8-7-9(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(3-methylbutoxy)pentan-1-ol?
2-methyl-1-(3-methylbutoxy)pentan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutoxy)pentan-1-ol is sourced from PubChem (CID 57131480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).