1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane

C18H30O3 — CID 150775421

IUPAC1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane
SMILESC1CCC(OC2(OC3CCC3)CCCCC2OC2CC2)C1
InChIInChI=1S/C18H30O3/c1-2-7-15(6-1)20-18(21-16-8-5-9-16)13-4-3-10-17(18)19-14-11-12-14/h14-17H,1-13H2
InChIKeyKATOGILMHITAGL-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.33
Rot. Bonds6

About 1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane

1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane (PubChem CID 150775421) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane.

Molecular Properties

Compound Name1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane
PubChem CID150775421
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane
SMILESC1CCC(OC2(OC3CCC3)CCCCC2OC2CC2)C1
InChIInChI=1S/C18H30O3/c1-2-7-15(6-1)20-18(21-16-8-5-9-16)13-4-3-10-17(18)19-14-11-12-14/h14-17H,1-13H2
InChIKeyKATOGILMHITAGL-UHFFFAOYSA-N
XLogP4.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane?
The IUPAC name of 1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane (CID 150775421) is 1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane.
What is the SMILES notation for 1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane?
The canonical SMILES for 1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane is C1CCC(OC2(OC3CCC3)CCCCC2OC2CC2)C1.
What is the InChIKey of 1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane?
The InChIKey is KATOGILMHITAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-2-7-15(6-1)20-18(21-16-8-5-9-16)13-4-3-10-17(18)19-14-11-12-14/h14-17H,1-13H2.
What are the key properties of 1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane?
1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane has a molecular weight of 294.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane is sourced from PubChem (CID 150775421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).