3-(2-methylbutoxy)butan-1-ol

C9H20O2 — CID 87892018

IUPAC3-(2-methylbutoxy)butan-1-ol
SMILESCCC(C)COC(C)CCO
InChIInChI=1S/C9H20O2/c1-4-8(2)7-11-9(3)5-6-10/h8-10H,4-7H2,1-3H3
InChIKeyTWJPPCCKZBBGSO-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds6

About 3-(2-methylbutoxy)butan-1-ol

3-(2-methylbutoxy)butan-1-ol (PubChem CID 87892018) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-(2-methylbutoxy)butan-1-ol.

Molecular Properties

Compound Name3-(2-methylbutoxy)butan-1-ol
PubChem CID87892018
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-(2-methylbutoxy)butan-1-ol
SMILESCCC(C)COC(C)CCO
InChIInChI=1S/C9H20O2/c1-4-8(2)7-11-9(3)5-6-10/h8-10H,4-7H2,1-3H3
InChIKeyTWJPPCCKZBBGSO-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-methylbutoxy)butan-1-ol
CID 87892017
1-(4-hydroxybutan-2-yloxy)propan-2-yl formate
CID 158947423
(2S)-1-[bis[(2S)-2-methylbutoxy]methoxy]-2-methylbutane
CID 134895103
ethane;2-methyl-1-propan-2-yloxybutane
CID 143253111
2-methyl-1-pentan-3-yloxybutane
CID 23377308
(3S)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
CID 56841194
(3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
CID 56841193
(3S,5R)-3,5-dimethylheptan-1-ol
CID 99134990
3-methoxy-7-methylnonan-1-ol
CID 87272978
2-(3-chloro-2-methylpropoxy)pentane
CID 102981443
(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
CID 150908774
3-(hydrazinylmethoxy)butan-1-ol
CID 167099986

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutoxy)butan-1-ol?
The IUPAC name of 3-(2-methylbutoxy)butan-1-ol (CID 87892018) is 3-(2-methylbutoxy)butan-1-ol.
What is the SMILES notation for 3-(2-methylbutoxy)butan-1-ol?
The canonical SMILES for 3-(2-methylbutoxy)butan-1-ol is CCC(C)COC(C)CCO.
What is the InChIKey of 3-(2-methylbutoxy)butan-1-ol?
The InChIKey is TWJPPCCKZBBGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-8(2)7-11-9(3)5-6-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-(2-methylbutoxy)butan-1-ol?
3-(2-methylbutoxy)butan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutoxy)butan-1-ol is sourced from PubChem (CID 87892018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).