bis(cyclopentane);hydrate

C10H22O — CID 19957864

IUPACbis(cyclopentane);hydrate
SMILESC1CCCC1.C1CCCC1.O
InChIInChI=1S/2C5H10.H2O/c2*1-2-4-5-3-1;/h2*1-5H2;1H2
InChIKeyKSIKQTJKPMNWNR-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.08
Rot. Bonds

About bis(cyclopentane);hydrate

bis(cyclopentane);hydrate (PubChem CID 19957864) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is bis(cyclopentane);hydrate.

Molecular Properties

Compound Namebis(cyclopentane);hydrate
PubChem CID19957864
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Namebis(cyclopentane);hydrate
SMILESC1CCCC1.C1CCCC1.O
InChIInChI=1S/2C5H10.H2O/c2*1-2-4-5-3-1;/h2*1-5H2;1H2
InChIKeyKSIKQTJKPMNWNR-UHFFFAOYSA-N
XLogP3.08
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopentane);hydrate?
The IUPAC name of bis(cyclopentane);hydrate (CID 19957864) is bis(cyclopentane);hydrate.
What is the SMILES notation for bis(cyclopentane);hydrate?
The canonical SMILES for bis(cyclopentane);hydrate is C1CCCC1.C1CCCC1.O.
What is the InChIKey of bis(cyclopentane);hydrate?
The InChIKey is KSIKQTJKPMNWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.H2O/c2*1-2-4-5-3-1;/h2*1-5H2;1H2.
What are the key properties of bis(cyclopentane);hydrate?
bis(cyclopentane);hydrate has a molecular weight of 158.28 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);hydrate is sourced from PubChem (CID 19957864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).