2,5-dimethylhexan-2-ol;ethene

C10H22O — CID 144803935

IUPAC2,5-dimethylhexan-2-ol;ethene
SMILESC=C.CC(C)CCC(C)(C)O
InChIInChI=1S/C8H18O.C2H4/c1-7(2)5-6-8(3,4)9;1-2/h7,9H,5-6H2,1-4H3;1-2H2
InChIKeyCXFQHWKHPFZIKP-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.00
Rot. Bonds3

About 2,5-dimethylhexan-2-ol;ethene

2,5-dimethylhexan-2-ol;ethene (PubChem CID 144803935) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2,5-dimethylhexan-2-ol;ethene.

Molecular Properties

Compound Name2,5-dimethylhexan-2-ol;ethene
PubChem CID144803935
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2,5-dimethylhexan-2-ol;ethene
SMILESC=C.CC(C)CCC(C)(C)O
InChIInChI=1S/C8H18O.C2H4/c1-7(2)5-6-8(3,4)9;1-2/h7,9H,5-6H2,1-4H3;1-2H2
InChIKeyCXFQHWKHPFZIKP-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.00
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

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CID 71347470
2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol
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1,1-difluoro-2,5-dimethylhexan-2-ol
CID 80605590
(5S)-2,6-dimethylhept-6-ene-2,5-diol
CID 11815994
2,6,6,10-tetramethylundecane-5,5-diol
CID 141261588
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 79326254
2-hydroxy-2,5-dimethylhexanamide
CID 62224009
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772
2,7-dimethyloctane-2,5-diol;sulfuric acid
CID 87730254
N-(3,6-dimethylhept-1-en-3-yl)methanimine
CID 142048327

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexan-2-ol;ethene?
The IUPAC name of 2,5-dimethylhexan-2-ol;ethene (CID 144803935) is 2,5-dimethylhexan-2-ol;ethene.
What is the SMILES notation for 2,5-dimethylhexan-2-ol;ethene?
The canonical SMILES for 2,5-dimethylhexan-2-ol;ethene is C=C.CC(C)CCC(C)(C)O.
What is the InChIKey of 2,5-dimethylhexan-2-ol;ethene?
The InChIKey is CXFQHWKHPFZIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C2H4/c1-7(2)5-6-8(3,4)9;1-2/h7,9H,5-6H2,1-4H3;1-2H2.
What are the key properties of 2,5-dimethylhexan-2-ol;ethene?
2,5-dimethylhexan-2-ol;ethene has a molecular weight of 158.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexan-2-ol;ethene is sourced from PubChem (CID 144803935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).