1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol

C20H38O2 — CID 146250424

IUPAC1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol
SMILESCC(C)C(C)CC1CCC(CC(C)(C)CC2(O)CCCC2)O1
InChIInChI=1S/C20H38O2/c1-15(2)16(3)12-17-8-9-18(22-17)13-19(4,5)14-20(21)10-6-7-11-20/h15-18,21H,6-14H2,1-5H3
InChIKeyBZCOXBAHGSOMLI-UHFFFAOYSA-N
MW310.52 g/mol
LogP5.33
Rot. Bonds7

About 1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol

1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol (PubChem CID 146250424) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol
PubChem CID146250424
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol
SMILESCC(C)C(C)CC1CCC(CC(C)(C)CC2(O)CCCC2)O1
InChIInChI=1S/C20H38O2/c1-15(2)16(3)12-17-8-9-18(22-17)13-19(4,5)14-20(21)10-6-7-11-20/h15-18,21H,6-14H2,1-5H3
InChIKeyBZCOXBAHGSOMLI-UHFFFAOYSA-N
XLogP5.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol?
The IUPAC name of 1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol (CID 146250424) is 1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol?
The canonical SMILES for 1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol is CC(C)C(C)CC1CCC(CC(C)(C)CC2(O)CCCC2)O1.
What is the InChIKey of 1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol?
The InChIKey is BZCOXBAHGSOMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-15(2)16(3)12-17-8-9-18(22-17)13-19(4,5)14-20(21)10-6-7-11-20/h15-18,21H,6-14H2,1-5H3.
What are the key properties of 1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol?
1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol has a molecular weight of 310.52 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2,3-dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol is sourced from PubChem (CID 146250424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).