2-methylbutan-2-ol;3-methylbut-3-en-1-ol

C10H22O2 — CID 87324008

IUPAC2-methylbutan-2-ol;3-methylbut-3-en-1-ol
SMILESC=C(C)CCO.CCC(C)(C)O
InChIInChI=1S/C5H10O.C5H12O/c1-5(2)3-4-6;1-4-5(2,3)6/h6H,1,3-4H2,2H3;6H,4H2,1-3H3
InChIKeyOPSSLVYIQCAKMR-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.11
Rot. Bonds3

About 2-methylbutan-2-ol;3-methylbut-3-en-1-ol

2-methylbutan-2-ol;3-methylbut-3-en-1-ol (PubChem CID 87324008) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-methylbutan-2-ol;3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name2-methylbutan-2-ol;3-methylbut-3-en-1-ol
PubChem CID87324008
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-methylbutan-2-ol;3-methylbut-3-en-1-ol
SMILESC=C(C)CCO.CCC(C)(C)O
InChIInChI=1S/C5H10O.C5H12O/c1-5(2)3-4-6;1-4-5(2,3)6/h6H,1,3-4H2,2H3;6H,4H2,1-3H3
InChIKeyOPSSLVYIQCAKMR-UHFFFAOYSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylbuta-1,3-diene;3-methylbut-3-en-1-ol
CID 89443123
methanamine;2-methylbutan-2-ol
CID 142079467
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
2,10-dimethylundec-10-en-2-ol
CID 170848213
3,5-dimethylhex-5-en-3-ol
CID 552026
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
2,8-dimethyl-5-methylidenenona-1,8-diene
CID 91474850
2-methylbutan-2-ol;pentan-2-one
CID 88715177
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772
5-methylhex-5-en-1-ol
CID 10820498
2-ethyl-2,5-dimethylhex-5-enenitrile
CID 130513627
(3R)-3,5-dimethylhex-5-ene-1,3-diol
CID 14831815

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-ol;3-methylbut-3-en-1-ol?
The IUPAC name of 2-methylbutan-2-ol;3-methylbut-3-en-1-ol (CID 87324008) is 2-methylbutan-2-ol;3-methylbut-3-en-1-ol.
What is the SMILES notation for 2-methylbutan-2-ol;3-methylbut-3-en-1-ol?
The canonical SMILES for 2-methylbutan-2-ol;3-methylbut-3-en-1-ol is C=C(C)CCO.CCC(C)(C)O.
What is the InChIKey of 2-methylbutan-2-ol;3-methylbut-3-en-1-ol?
The InChIKey is OPSSLVYIQCAKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C5H12O/c1-5(2)3-4-6;1-4-5(2,3)6/h6H,1,3-4H2,2H3;6H,4H2,1-3H3.
What are the key properties of 2-methylbutan-2-ol;3-methylbut-3-en-1-ol?
2-methylbutan-2-ol;3-methylbut-3-en-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ol;3-methylbut-3-en-1-ol is sourced from PubChem (CID 87324008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).