propan-2-yloxycyclohexane

C9H18O — CID 12838327

IUPACpropan-2-yloxycyclohexane
SMILESCC(C)OC1CCCCC1
InChIInChI=1S/C9H18O/c1-8(2)10-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyKBZVFSSKGBFEBT-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.74
Rot. Bonds2

About propan-2-yloxycyclohexane

propan-2-yloxycyclohexane (PubChem CID 12838327) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is propan-2-yloxycyclohexane.

Molecular Properties

Compound Namepropan-2-yloxycyclohexane
PubChem CID12838327
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Namepropan-2-yloxycyclohexane
SMILESCC(C)OC1CCCCC1
InChIInChI=1S/C9H18O/c1-8(2)10-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyKBZVFSSKGBFEBT-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-2-yloxycyclohexane?
The IUPAC name of propan-2-yloxycyclohexane (CID 12838327) is propan-2-yloxycyclohexane.
What is the SMILES notation for propan-2-yloxycyclohexane?
The canonical SMILES for propan-2-yloxycyclohexane is CC(C)OC1CCCCC1.
What is the InChIKey of propan-2-yloxycyclohexane?
The InChIKey is KBZVFSSKGBFEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)10-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of propan-2-yloxycyclohexane?
propan-2-yloxycyclohexane has a molecular weight of 142.24 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxycyclohexane is sourced from PubChem (CID 12838327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).