propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane

C23H46O2 — CID 167674182

IUPACpropan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
SMILESCC(C)C1CCCCC1.CC(C)C1CCOCC1.CC(C)C1COC1
InChIInChI=1S/C9H18.C8H16O.C6H12O/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-4-6/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyUOOMCHWSLMDKHI-UHFFFAOYSA-N
MW354.62 g/mol
LogP6.58
Rot. Bonds3

About propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane

propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane (PubChem CID 167674182) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane.

Molecular Properties

Compound Namepropan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
PubChem CID167674182
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Namepropan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
SMILESCC(C)C1CCCCC1.CC(C)C1CCOCC1.CC(C)C1COC1
InChIInChI=1S/C9H18.C8H16O.C6H12O/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-4-6/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyUOOMCHWSLMDKHI-UHFFFAOYSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane?
The IUPAC name of propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane (CID 167674182) is propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane.
What is the SMILES notation for propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane?
The canonical SMILES for propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane is CC(C)C1CCCCC1.CC(C)C1CCOCC1.CC(C)C1COC1.
What is the InChIKey of propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane?
The InChIKey is UOOMCHWSLMDKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C8H16O.C6H12O/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-4-6/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane?
propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane has a molecular weight of 354.62 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane is sourced from PubChem (CID 167674182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).