4,4-dimethylpentan-1-ol;3-methylbut-1-ene

C12H26O — CID 157179674

IUPAC4,4-dimethylpentan-1-ol;3-methylbut-1-ene
SMILESC=CC(C)C.CC(C)(C)CCCO
InChIInChI=1S/C7H16O.C5H10/c1-7(2,3)5-4-6-8;1-4-5(2)3/h8H,4-6H2,1-3H3;4-5H,1H2,2-3H3
InChIKeyAOKQDVBEAOZPHP-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.63
Rot. Bonds3

About 4,4-dimethylpentan-1-ol;3-methylbut-1-ene

4,4-dimethylpentan-1-ol;3-methylbut-1-ene (PubChem CID 157179674) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 4,4-dimethylpentan-1-ol;3-methylbut-1-ene.

Molecular Properties

Compound Name4,4-dimethylpentan-1-ol;3-methylbut-1-ene
PubChem CID157179674
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name4,4-dimethylpentan-1-ol;3-methylbut-1-ene
SMILESC=CC(C)C.CC(C)(C)CCCO
InChIInChI=1S/C7H16O.C5H10/c1-7(2,3)5-4-6-8;1-4-5(2)3/h8H,4-6H2,1-3H3;4-5H,1H2,2-3H3
InChIKeyAOKQDVBEAOZPHP-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethylpentan-1-ol;tungsten
CID 140674577
3,4,8,8-tetramethylnonan-1-ol
CID 58843211
5-methylheptane-1,5,6-triol
CID 87279816
(4S)-4-methylhept-6-ene-1,4-diol
CID 10464446
2-(hydroxymethyl)-2-methylpentane-1,5-diol
CID 59271141
(4S)-4-methoxy-8,8-dimethylnonan-1-ol
CID 118887633
6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol
CID 169099356
3-methylbut-1-ene;hydrobromide
CID 158395600
butane-1,4-diol;2,2-dimethylpropane-1,1-diol
CID 141408559
butane-1,4-diol;butane-2,3-diol;(E)-but-1-ene-1,4-diol
CID 89438712
2-ethenyl-8,8-dimethylnonanoic acid
CID 54149492
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentan-1-ol;3-methylbut-1-ene?
The IUPAC name of 4,4-dimethylpentan-1-ol;3-methylbut-1-ene (CID 157179674) is 4,4-dimethylpentan-1-ol;3-methylbut-1-ene.
What is the SMILES notation for 4,4-dimethylpentan-1-ol;3-methylbut-1-ene?
The canonical SMILES for 4,4-dimethylpentan-1-ol;3-methylbut-1-ene is C=CC(C)C.CC(C)(C)CCCO.
What is the InChIKey of 4,4-dimethylpentan-1-ol;3-methylbut-1-ene?
The InChIKey is AOKQDVBEAOZPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C5H10/c1-7(2,3)5-4-6-8;1-4-5(2)3/h8H,4-6H2,1-3H3;4-5H,1H2,2-3H3.
What are the key properties of 4,4-dimethylpentan-1-ol;3-methylbut-1-ene?
4,4-dimethylpentan-1-ol;3-methylbut-1-ene has a molecular weight of 186.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentan-1-ol;3-methylbut-1-ene is sourced from PubChem (CID 157179674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).