2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol

C11H20O2 — CID 103142539

IUPAC2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol
SMILESC=CC(C)(CO)CC1CCC(C)O1
InChIInChI=1S/C11H20O2/c1-4-11(3,8-12)7-10-6-5-9(2)13-10/h4,9-10,12H,1,5-8H2,2-3H3
InChIKeyYOSYWAVKPXLMKV-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds4

About 2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol

2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol (PubChem CID 103142539) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol
PubChem CID103142539
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol
SMILESC=CC(C)(CO)CC1CCC(C)O1
InChIInChI=1S/C11H20O2/c1-4-11(3,8-12)7-10-6-5-9(2)13-10/h4,9-10,12H,1,5-8H2,2-3H3
InChIKeyYOSYWAVKPXLMKV-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol?
The IUPAC name of 2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol (CID 103142539) is 2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol.
What is the SMILES notation for 2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol?
The canonical SMILES for 2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol is C=CC(C)(CO)CC1CCC(C)O1.
What is the InChIKey of 2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol?
The InChIKey is YOSYWAVKPXLMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-11(3,8-12)7-10-6-5-9(2)13-10/h4,9-10,12H,1,5-8H2,2-3H3.
What are the key properties of 2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol?
2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol is sourced from PubChem (CID 103142539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).