(Z)-3-methylbut-1-en-1-ol

C5H10O — CID 58488783

IUPAC(Z)-3-methylbut-1-en-1-ol
SMILESCC(C)/C=C\O
InChIInChI=1S/C5H10O/c1-5(2)3-4-6/h3-6H,1-2H3/b4-3-
InChIKeyQVDTXNVYSHVCGW-ARJAWSKDSA-N
MW86.13 g/mol
LogP1.71
Rot. Bonds1

About (Z)-3-methylbut-1-en-1-ol

(Z)-3-methylbut-1-en-1-ol (PubChem CID 58488783) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is (Z)-3-methylbut-1-en-1-ol.

Molecular Properties

Compound Name(Z)-3-methylbut-1-en-1-ol
PubChem CID58488783
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name(Z)-3-methylbut-1-en-1-ol
SMILESCC(C)/C=C\O
InChIInChI=1S/C5H10O/c1-5(2)3-4-6/h3-6H,1-2H3/b4-3-
InChIKeyQVDTXNVYSHVCGW-ARJAWSKDSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylbut-1-en-1-ol?
The IUPAC name of (Z)-3-methylbut-1-en-1-ol (CID 58488783) is (Z)-3-methylbut-1-en-1-ol.
What is the SMILES notation for (Z)-3-methylbut-1-en-1-ol?
The canonical SMILES for (Z)-3-methylbut-1-en-1-ol is CC(C)/C=C\O.
What is the InChIKey of (Z)-3-methylbut-1-en-1-ol?
The InChIKey is QVDTXNVYSHVCGW-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H10O/c1-5(2)3-4-6/h3-6H,1-2H3/b4-3-.
What are the key properties of (Z)-3-methylbut-1-en-1-ol?
(Z)-3-methylbut-1-en-1-ol has a molecular weight of 86.13 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylbut-1-en-1-ol is sourced from PubChem (CID 58488783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).