2,3-dimethylbutan-1-ol;2-methylbut-2-ene

C11H24O — CID 159485541

IUPAC2,3-dimethylbutan-1-ol;2-methylbut-2-ene
SMILESCC(C)C(C)CO.CC=C(C)C
InChIInChI=1S/C6H14O.C5H10/c1-5(2)6(3)4-7;1-4-5(2)3/h5-7H,4H2,1-3H3;4H,1-3H3
InChIKeyLXNMNWDYFYOEMO-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.24
Rot. Bonds2

About 2,3-dimethylbutan-1-ol;2-methylbut-2-ene

2,3-dimethylbutan-1-ol;2-methylbut-2-ene (PubChem CID 159485541) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,3-dimethylbutan-1-ol;2-methylbut-2-ene.

Molecular Properties

Compound Name2,3-dimethylbutan-1-ol;2-methylbut-2-ene
PubChem CID159485541
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,3-dimethylbutan-1-ol;2-methylbut-2-ene
SMILESCC(C)C(C)CO.CC=C(C)C
InChIInChI=1S/C6H14O.C5H10/c1-5(2)6(3)4-7;1-4-5(2)3/h5-7H,4H2,1-3H3;4H,1-3H3
InChIKeyLXNMNWDYFYOEMO-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-dimethylbutan-1-ol;2-methylbut-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethylbutan-1-ol;ethane;fluoromethane
CID 143378168
2,3,4-trimethylhept-5-en-1-ol
CID 123346743
(2S,3S)-2,3,5-trimethylhex-4-en-1-ol
CID 118549067
(2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol
CID 131667775
2,3-dimethylbutan-1-ol;2,3-dimethylbut-2-enal;2,3-dimethylbut-2-en-1-ol
CID 162167407
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
(4R,6S)-2,4,6,7-tetramethyloct-2-ene
CID 59787440
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396
3,4-dimethylpentane-1,2,5-triol
CID 91805402
7-hydroxy-3,4,5,6-tetramethylheptan-2-one
CID 122674518
(2S,3R,4S)-3-methoxy-2,4,6-trimethylhept-5-en-1-ol
CID 59678397
cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol
CID 160600152

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-1-ol;2-methylbut-2-ene?
The IUPAC name of 2,3-dimethylbutan-1-ol;2-methylbut-2-ene (CID 159485541) is 2,3-dimethylbutan-1-ol;2-methylbut-2-ene.
What is the SMILES notation for 2,3-dimethylbutan-1-ol;2-methylbut-2-ene?
The canonical SMILES for 2,3-dimethylbutan-1-ol;2-methylbut-2-ene is CC(C)C(C)CO.CC=C(C)C.
What is the InChIKey of 2,3-dimethylbutan-1-ol;2-methylbut-2-ene?
The InChIKey is LXNMNWDYFYOEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C5H10/c1-5(2)6(3)4-7;1-4-5(2)3/h5-7H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 2,3-dimethylbutan-1-ol;2-methylbut-2-ene?
2,3-dimethylbutan-1-ol;2-methylbut-2-ene has a molecular weight of 172.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-1-ol;2-methylbut-2-ene is sourced from PubChem (CID 159485541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).