2,3-dipropylcyclobuten-1-ol

C10H18O — CID 174995483

IUPAC2,3-dipropylcyclobuten-1-ol
SMILESCCCC1=C(O)CC1CCC
InChIInChI=1S/C10H18O/c1-3-5-8-7-10(11)9(8)6-4-2/h8,11H,3-7H2,1-2H3
InChIKeyOFLWVMNMWYTOSH-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.42
Rot. Bonds4

About 2,3-dipropylcyclobuten-1-ol

2,3-dipropylcyclobuten-1-ol (PubChem CID 174995483) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,3-dipropylcyclobuten-1-ol.

Molecular Properties

Compound Name2,3-dipropylcyclobuten-1-ol
PubChem CID174995483
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,3-dipropylcyclobuten-1-ol
SMILESCCCC1=C(O)CC1CCC
InChIInChI=1S/C10H18O/c1-3-5-8-7-10(11)9(8)6-4-2/h8,11H,3-7H2,1-2H3
InChIKeyOFLWVMNMWYTOSH-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dipropylcyclobuten-1-ol?
The IUPAC name of 2,3-dipropylcyclobuten-1-ol (CID 174995483) is 2,3-dipropylcyclobuten-1-ol.
What is the SMILES notation for 2,3-dipropylcyclobuten-1-ol?
The canonical SMILES for 2,3-dipropylcyclobuten-1-ol is CCCC1=C(O)CC1CCC.
What is the InChIKey of 2,3-dipropylcyclobuten-1-ol?
The InChIKey is OFLWVMNMWYTOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-5-8-7-10(11)9(8)6-4-2/h8,11H,3-7H2,1-2H3.
What are the key properties of 2,3-dipropylcyclobuten-1-ol?
2,3-dipropylcyclobuten-1-ol has a molecular weight of 154.25 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropylcyclobuten-1-ol is sourced from PubChem (CID 174995483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).