(E)-3-methyl(411C)but-2-en-1-ol

C5H10O — CID 11693897

IUPAC(E)-3-methyl(411C)but-2-en-1-ol
SMILESC/C([11CH3])=C/CO
InChIInChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3/i1-1/b5-3+
InChIKeyASUAYTHWZCLXAN-VAMWUJLOSA-N
MW85.13 g/mol
LogP0.94
Rot. Bonds1

About (E)-3-methyl(411C)but-2-en-1-ol

(E)-3-methyl(411C)but-2-en-1-ol (PubChem CID 11693897) has the molecular formula C5H10O and a molecular weight of 85.13 g/mol. Its IUPAC name is (E)-3-methyl(411C)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-methyl(411C)but-2-en-1-ol
PubChem CID11693897
Molecular FormulaC5H10O
Molecular Weight85.13 g/mol
Exact Mass85.08
IUPAC Name(E)-3-methyl(411C)but-2-en-1-ol
SMILESC/C([11CH3])=C/CO
InChIInChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3/i1-1/b5-3+
InChIKeyASUAYTHWZCLXAN-VAMWUJLOSA-N
XLogP0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.13
LogP ≤ 50.94
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

3-methylbut-2-en-1-ol;hydrate
CID 172859141
3-methylbut-2-en-1-ol;2-methylprop-1-ene
CID 87257087
(Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol
CID 25240200
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(2E)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 22323960
(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol
CID 129379674
(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 154496007
3,7,11-trimethyldodeca-2,7,10-trien-1-ol
CID 54253361
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
3-methylpenta-2,4-dien-1-ol
CID 534959

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl(411C)but-2-en-1-ol?
The IUPAC name of (E)-3-methyl(411C)but-2-en-1-ol (CID 11693897) is (E)-3-methyl(411C)but-2-en-1-ol.
What is the SMILES notation for (E)-3-methyl(411C)but-2-en-1-ol?
The canonical SMILES for (E)-3-methyl(411C)but-2-en-1-ol is C/C([11CH3])=C/CO.
What is the InChIKey of (E)-3-methyl(411C)but-2-en-1-ol?
The InChIKey is ASUAYTHWZCLXAN-VAMWUJLOSA-N. The full InChI is InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3/i1-1/b5-3+.
What are the key properties of (E)-3-methyl(411C)but-2-en-1-ol?
(E)-3-methyl(411C)but-2-en-1-ol has a molecular weight of 85.13 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl(411C)but-2-en-1-ol is sourced from PubChem (CID 11693897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).