3-methyl-3-methylbutan-1-ol

C6H13O+ — CID 23523624

IUPAC3-methyl-3-methylbutan-1-ol
SMILES[CH2+]C(C)(C)CCO
InChIInChI=1S/C6H13O/c1-6(2,3)4-5-7/h7H,1,4-5H2,2-3H3/q+1
InChIKeyPWPZIKFOLHIMEL-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.23
Rot. Bonds2

About 3-methyl-3-methylbutan-1-ol

3-methyl-3-methylbutan-1-ol (PubChem CID 23523624) has the molecular formula C6H13O+ and a molecular weight of 101.17 g/mol. Its IUPAC name is 3-methyl-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-3-methylbutan-1-ol
PubChem CID23523624
Molecular FormulaC6H13O+
Molecular Weight101.17 g/mol
Exact Mass101.10
IUPAC Name3-methyl-3-methylbutan-1-ol
SMILES[CH2+]C(C)(C)CCO
InChIInChI=1S/C6H13O/c1-6(2,3)4-5-7/h7H,1,4-5H2,2-3H3/q+1
InChIKeyPWPZIKFOLHIMEL-UHFFFAOYSA-N
XLogP1.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethylbutan-1-ol;ethane
CID 155708762
3-methyl-4-sulfanylbutane-1,3-diol
CID 87233206
2,2-di(methyl)propan-1-ol
CID 135993184
ethane-1,2-diol;3-methylbutane-1,3-diol
CID 174420399
3-amino-3-methylbutan-1-ol
CID 641000
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
2-(hydroxymethyl)-2,3,3-trimethylpentane-1,5-diol
CID 175377190
3,4,4,4-tetrafluoro-3-methylbutan-1-ol
CID 142168875
3,3-difluoro-4,4-dimethylpentan-1-ol
CID 105429698
(3R)-3,5-dimethylhex-5-ene-1,3-diol
CID 14831815
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
2-methyl-2-propan-2-ylbutane-1,4-diol
CID 54159486

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-methylbutan-1-ol?
The IUPAC name of 3-methyl-3-methylbutan-1-ol (CID 23523624) is 3-methyl-3-methylbutan-1-ol.
What is the SMILES notation for 3-methyl-3-methylbutan-1-ol?
The canonical SMILES for 3-methyl-3-methylbutan-1-ol is [CH2+]C(C)(C)CCO.
What is the InChIKey of 3-methyl-3-methylbutan-1-ol?
The InChIKey is PWPZIKFOLHIMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O/c1-6(2,3)4-5-7/h7H,1,4-5H2,2-3H3/q+1.
What are the key properties of 3-methyl-3-methylbutan-1-ol?
3-methyl-3-methylbutan-1-ol has a molecular weight of 101.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-methylbutan-1-ol is sourced from PubChem (CID 23523624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).