5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one

C12H20O — CID 89310191

IUPAC5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one
SMILESCC(=O)CCCC1(CC2CC2)CC1
InChIInChI=1S/C12H20O/c1-10(13)3-2-6-12(7-8-12)9-11-4-5-11/h11H,2-9H2,1H3
InChIKeyDZRKUSHYGSQHPT-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds6

About 5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one

5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one (PubChem CID 89310191) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one
PubChem CID89310191
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one
SMILESCC(=O)CCCC1(CC2CC2)CC1
InChIInChI=1S/C12H20O/c1-10(13)3-2-6-12(7-8-12)9-11-4-5-11/h11H,2-9H2,1H3
InChIKeyDZRKUSHYGSQHPT-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one?
The IUPAC name of 5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one (CID 89310191) is 5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one?
The canonical SMILES for 5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one is CC(=O)CCCC1(CC2CC2)CC1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one?
The InChIKey is DZRKUSHYGSQHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10(13)3-2-6-12(7-8-12)9-11-4-5-11/h11H,2-9H2,1H3.
What are the key properties of 5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one?
5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one has a molecular weight of 180.29 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one is sourced from PubChem (CID 89310191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).