2-methyl-2-propylcyclopentane-1,3-diol

C9H18O2 — CID 130143502

IUPAC2-methyl-2-propylcyclopentane-1,3-diol
SMILESCCCC1(C)C(O)CCC1O
InChIInChI=1S/C9H18O2/c1-3-6-9(2)7(10)4-5-8(9)11/h7-8,10-11H,3-6H2,1-2H3
InChIKeyRJDXHCMQJAEKKG-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds2

About 2-methyl-2-propylcyclopentane-1,3-diol

2-methyl-2-propylcyclopentane-1,3-diol (PubChem CID 130143502) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methyl-2-propylcyclopentane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-propylcyclopentane-1,3-diol
PubChem CID130143502
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-methyl-2-propylcyclopentane-1,3-diol
SMILESCCCC1(C)C(O)CCC1O
InChIInChI=1S/C9H18O2/c1-3-6-9(2)7(10)4-5-8(9)11/h7-8,10-11H,3-6H2,1-2H3
InChIKeyRJDXHCMQJAEKKG-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propylcyclopentane-1,3-diol?
The IUPAC name of 2-methyl-2-propylcyclopentane-1,3-diol (CID 130143502) is 2-methyl-2-propylcyclopentane-1,3-diol.
What is the SMILES notation for 2-methyl-2-propylcyclopentane-1,3-diol?
The canonical SMILES for 2-methyl-2-propylcyclopentane-1,3-diol is CCCC1(C)C(O)CCC1O.
What is the InChIKey of 2-methyl-2-propylcyclopentane-1,3-diol?
The InChIKey is RJDXHCMQJAEKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-6-9(2)7(10)4-5-8(9)11/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 2-methyl-2-propylcyclopentane-1,3-diol?
2-methyl-2-propylcyclopentane-1,3-diol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylcyclopentane-1,3-diol is sourced from PubChem (CID 130143502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).