ethanol;4-methylpent-1-ene

C8H18O — CID 141289447

IUPACethanol;4-methylpent-1-ene
SMILESC=CCC(C)C.CCO
InChIInChI=1S/C6H12.C2H6O/c1-4-5-6(2)3;1-2-3/h4,6H,1,5H2,2-3H3;3H,2H2,1H3
InChIKeyRUZVBSTUQJNVBY-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.22
Rot. Bonds2

About ethanol;4-methylpent-1-ene

ethanol;4-methylpent-1-ene (PubChem CID 141289447) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is ethanol;4-methylpent-1-ene.

Molecular Properties

Compound Nameethanol;4-methylpent-1-ene
PubChem CID141289447
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Nameethanol;4-methylpent-1-ene
SMILESC=CCC(C)C.CCO
InChIInChI=1S/C6H12.C2H6O/c1-4-5-6(2)3;1-2-3/h4,6H,1,5H2,2-3H3;3H,2H2,1H3
InChIKeyRUZVBSTUQJNVBY-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.22
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

but-1-ene;4-methylpent-1-ene
CID 23001909
but-1-ene;4-methylpent-1-ene;prop-1-ene
CID 172806960
butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
CID 158518430
4-methylpent-1-ene;propylidenecyclopropane
CID 173050388
bis(2-methylpentane);4-methylpentan-2-one;4-methylpent-1-ene
CID 158440590
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
(3E)-6-methylhepta-1,3-dien-3-ol
CID 89230926
azane;pent-4-en-2-ol
CID 22149561
4-propan-2-ylhepta-1,6-diene
CID 14140894
4-iodopent-1-ene
CID 13244562
(4S)-4-iodopent-1-ene
CID 88562936

Frequently Asked Questions

What is the IUPAC name of ethanol;4-methylpent-1-ene?
The IUPAC name of ethanol;4-methylpent-1-ene (CID 141289447) is ethanol;4-methylpent-1-ene.
What is the SMILES notation for ethanol;4-methylpent-1-ene?
The canonical SMILES for ethanol;4-methylpent-1-ene is C=CCC(C)C.CCO.
What is the InChIKey of ethanol;4-methylpent-1-ene?
The InChIKey is RUZVBSTUQJNVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C2H6O/c1-4-5-6(2)3;1-2-3/h4,6H,1,5H2,2-3H3;3H,2H2,1H3.
What are the key properties of ethanol;4-methylpent-1-ene?
ethanol;4-methylpent-1-ene has a molecular weight of 130.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-methylpent-1-ene is sourced from PubChem (CID 141289447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).