4-(3-methyloxiran-2-yl)butan-1-ol

C7H14O2 — CID 78061646

IUPAC4-(3-methyloxiran-2-yl)butan-1-ol
SMILESCC1OC1CCCCO
InChIInChI=1S/C7H14O2/c1-6-7(9-6)4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyRGVISJDZLDHPQU-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.94
Rot. Bonds4

About 4-(3-methyloxiran-2-yl)butan-1-ol

4-(3-methyloxiran-2-yl)butan-1-ol (PubChem CID 78061646) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-(3-methyloxiran-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-methyloxiran-2-yl)butan-1-ol
PubChem CID78061646
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name4-(3-methyloxiran-2-yl)butan-1-ol
SMILESCC1OC1CCCCO
InChIInChI=1S/C7H14O2/c1-6-7(9-6)4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyRGVISJDZLDHPQU-UHFFFAOYSA-N
XLogP0.94
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyloxiran-2-yl)butan-1-ol?
The IUPAC name of 4-(3-methyloxiran-2-yl)butan-1-ol (CID 78061646) is 4-(3-methyloxiran-2-yl)butan-1-ol.
What is the SMILES notation for 4-(3-methyloxiran-2-yl)butan-1-ol?
The canonical SMILES for 4-(3-methyloxiran-2-yl)butan-1-ol is CC1OC1CCCCO.
What is the InChIKey of 4-(3-methyloxiran-2-yl)butan-1-ol?
The InChIKey is RGVISJDZLDHPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6-7(9-6)4-2-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of 4-(3-methyloxiran-2-yl)butan-1-ol?
4-(3-methyloxiran-2-yl)butan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyloxiran-2-yl)butan-1-ol is sourced from PubChem (CID 78061646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).