4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one

C18H32O3 — CID 70182702

IUPAC4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one
SMILESCC(C)C1CCC(=O)CC1.CC(C)OC1CCC(=O)CC1
InChIInChI=1S/C9H16O2.C9H16O/c1-7(2)11-9-5-3-8(10)4-6-9;1-7(2)8-3-5-9(10)6-4-8/h7,9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyBLXUMKKCBPRRDZ-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.32
Rot. Bonds3

About 4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one

4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one (PubChem CID 70182702) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one.

Molecular Properties

Compound Name4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one
PubChem CID70182702
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one
SMILESCC(C)C1CCC(=O)CC1.CC(C)OC1CCC(=O)CC1
InChIInChI=1S/C9H16O2.C9H16O/c1-7(2)11-9-5-3-8(10)4-6-9;1-7(2)8-3-5-9(10)6-4-8/h7,9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyBLXUMKKCBPRRDZ-UHFFFAOYSA-N
XLogP4.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one?
The IUPAC name of 4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one (CID 70182702) is 4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one.
What is the SMILES notation for 4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one?
The canonical SMILES for 4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one is CC(C)C1CCC(=O)CC1.CC(C)OC1CCC(=O)CC1.
What is the InChIKey of 4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one?
The InChIKey is BLXUMKKCBPRRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C9H16O/c1-7(2)11-9-5-3-8(10)4-6-9;1-7(2)8-3-5-9(10)6-4-8/h7,9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one?
4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one has a molecular weight of 296.45 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one is sourced from PubChem (CID 70182702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).