2,2-dimethoxy-3-methylbutan-1-ol

C7H16O3 — CID 57218658

IUPAC2,2-dimethoxy-3-methylbutan-1-ol
SMILESCOC(CO)(OC)C(C)C
InChIInChI=1S/C7H16O3/c1-6(2)7(5-8,9-3)10-4/h6,8H,5H2,1-4H3
InChIKeyPHSLCLPWSCLIMV-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.62
Rot. Bonds4

About 2,2-dimethoxy-3-methylbutan-1-ol

2,2-dimethoxy-3-methylbutan-1-ol (PubChem CID 57218658) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2,2-dimethoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name2,2-dimethoxy-3-methylbutan-1-ol
PubChem CID57218658
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2,2-dimethoxy-3-methylbutan-1-ol
SMILESCOC(CO)(OC)C(C)C
InChIInChI=1S/C7H16O3/c1-6(2)7(5-8,9-3)10-4/h6,8H,5H2,1-4H3
InChIKeyPHSLCLPWSCLIMV-UHFFFAOYSA-N
XLogP0.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethoxypentan-2-ol
CID 13129036
Isopropylmethoxymonoethylene glycol
CID 129845947
1,1-Dimethoxy-3-methylbutan-2-ol
CID 13552781
2-(Methoxymethoxy)-3-methylbutan-1-ol
CID 14194588
1,1-Dimethoxy-2-methylbutan-2-ol
CID 18363545
(2-Propan-2-yl-1,3-dioxolan-2-yl)methanol
CID 18365134
3,3-Dimethoxy-2-methylbutan-1-ol
CID 19877459
2-Ethoxy-3-methylbutan-1-ol
CID 23384802
2,2-Dimethoxypentan-1-ol
CID 23464111
2,2-Dimethoxybutan-1-ol
CID 23464112
2,2-Dimethoxypentan-3-ol
CID 57316356
(2R)-2-ethoxy-3-methylbutan-1-ol
CID 59911437

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-3-methylbutan-1-ol?
The IUPAC name of 2,2-dimethoxy-3-methylbutan-1-ol (CID 57218658) is 2,2-dimethoxy-3-methylbutan-1-ol.
What is the SMILES notation for 2,2-dimethoxy-3-methylbutan-1-ol?
The canonical SMILES for 2,2-dimethoxy-3-methylbutan-1-ol is COC(CO)(OC)C(C)C.
What is the InChIKey of 2,2-dimethoxy-3-methylbutan-1-ol?
The InChIKey is PHSLCLPWSCLIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-6(2)7(5-8,9-3)10-4/h6,8H,5H2,1-4H3.
What are the key properties of 2,2-dimethoxy-3-methylbutan-1-ol?
2,2-dimethoxy-3-methylbutan-1-ol has a molecular weight of 148.20 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-3-methylbutan-1-ol is sourced from PubChem (CID 57218658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).