pentoxycyclohexane

C11H22O — CID 19938763

IUPACpentoxycyclohexane
SMILESCCCCCOC1CCCCC1
InChIInChI=1S/C11H22O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h11H,2-10H2,1H3
InChIKeyKKFGCCGNJHIIII-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.53
Rot. Bonds5

About pentoxycyclohexane

pentoxycyclohexane (PubChem CID 19938763) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is pentoxycyclohexane.

Molecular Properties

Compound Namepentoxycyclohexane
PubChem CID19938763
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Namepentoxycyclohexane
SMILESCCCCCOC1CCCCC1
InChIInChI=1S/C11H22O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h11H,2-10H2,1H3
InChIKeyKKFGCCGNJHIIII-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentoxycyclohexane?
The IUPAC name of pentoxycyclohexane (CID 19938763) is pentoxycyclohexane.
What is the SMILES notation for pentoxycyclohexane?
The canonical SMILES for pentoxycyclohexane is CCCCCOC1CCCCC1.
What is the InChIKey of pentoxycyclohexane?
The InChIKey is KKFGCCGNJHIIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h11H,2-10H2,1H3.
What are the key properties of pentoxycyclohexane?
pentoxycyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentoxycyclohexane is sourced from PubChem (CID 19938763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).