1-cyclopropyl-4-propan-2-yloxybutan-1-one

C10H18O2 — CID 59105435

IUPAC1-cyclopropyl-4-propan-2-yloxybutan-1-one
SMILESCC(C)OCCCC(=O)C1CC1
InChIInChI=1S/C10H18O2/c1-8(2)12-7-3-4-10(11)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyKRBODQBJZYFDJO-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds6

About 1-cyclopropyl-4-propan-2-yloxybutan-1-one

1-cyclopropyl-4-propan-2-yloxybutan-1-one (PubChem CID 59105435) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-yloxybutan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-yloxybutan-1-one
PubChem CID59105435
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-cyclopropyl-4-propan-2-yloxybutan-1-one
SMILESCC(C)OCCCC(=O)C1CC1
InChIInChI=1S/C10H18O2/c1-8(2)12-7-3-4-10(11)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyKRBODQBJZYFDJO-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-cyclopropyl-4-propan-2-yloxybutan-1-one?
The IUPAC name of 1-cyclopropyl-4-propan-2-yloxybutan-1-one (CID 59105435) is 1-cyclopropyl-4-propan-2-yloxybutan-1-one.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-yloxybutan-1-one?
The canonical SMILES for 1-cyclopropyl-4-propan-2-yloxybutan-1-one is CC(C)OCCCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-propan-2-yloxybutan-1-one?
The InChIKey is KRBODQBJZYFDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)12-7-3-4-10(11)9-5-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-propan-2-yloxybutan-1-one?
1-cyclopropyl-4-propan-2-yloxybutan-1-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-yloxybutan-1-one is sourced from PubChem (CID 59105435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).