3-methylbutan-2-yloxycyclopentane;propane-1,2-diol

C13H28O3 — CID 175276531

IUPAC3-methylbutan-2-yloxycyclopentane;propane-1,2-diol
SMILESCC(C)C(C)OC1CCCC1.CC(O)CO
InChIInChI=1S/C10H20O.C3H8O2/c1-8(2)9(3)11-10-6-4-5-7-10;1-3(5)2-4/h8-10H,4-7H2,1-3H3;3-5H,2H2,1H3
InChIKeyZCHMLTUSSOYNQE-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.35
Rot. Bonds4

About 3-methylbutan-2-yloxycyclopentane;propane-1,2-diol

3-methylbutan-2-yloxycyclopentane;propane-1,2-diol (PubChem CID 175276531) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 3-methylbutan-2-yloxycyclopentane;propane-1,2-diol.

Molecular Properties

Compound Name3-methylbutan-2-yloxycyclopentane;propane-1,2-diol
PubChem CID175276531
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name3-methylbutan-2-yloxycyclopentane;propane-1,2-diol
SMILESCC(C)C(C)OC1CCCC1.CC(O)CO
InChIInChI=1S/C10H20O.C3H8O2/c1-8(2)9(3)11-10-6-4-5-7-10;1-3(5)2-4/h8-10H,4-7H2,1-3H3;3-5H,2H2,1H3
InChIKeyZCHMLTUSSOYNQE-UHFFFAOYSA-N
XLogP2.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yloxycyclopentane;propane-1,2-diol?
The IUPAC name of 3-methylbutan-2-yloxycyclopentane;propane-1,2-diol (CID 175276531) is 3-methylbutan-2-yloxycyclopentane;propane-1,2-diol.
What is the SMILES notation for 3-methylbutan-2-yloxycyclopentane;propane-1,2-diol?
The canonical SMILES for 3-methylbutan-2-yloxycyclopentane;propane-1,2-diol is CC(C)C(C)OC1CCCC1.CC(O)CO.
What is the InChIKey of 3-methylbutan-2-yloxycyclopentane;propane-1,2-diol?
The InChIKey is ZCHMLTUSSOYNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C3H8O2/c1-8(2)9(3)11-10-6-4-5-7-10;1-3(5)2-4/h8-10H,4-7H2,1-3H3;3-5H,2H2,1H3.
What are the key properties of 3-methylbutan-2-yloxycyclopentane;propane-1,2-diol?
3-methylbutan-2-yloxycyclopentane;propane-1,2-diol has a molecular weight of 232.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yloxycyclopentane;propane-1,2-diol is sourced from PubChem (CID 175276531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).