bis(1-hydroxycyclopentyl)methanone

C11H18O3 — CID 57474499

IUPACbis(1-hydroxycyclopentyl)methanone
SMILESO=C(C1(O)CCCC1)C1(O)CCCC1
InChIInChI=1S/C11H18O3/c12-9(10(13)5-1-2-6-10)11(14)7-3-4-8-11/h13-14H,1-8H2
InChIKeyAKMQBGDPAIDREW-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.17
Rot. Bonds2

About bis(1-hydroxycyclopentyl)methanone

bis(1-hydroxycyclopentyl)methanone (PubChem CID 57474499) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is bis(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Namebis(1-hydroxycyclopentyl)methanone
PubChem CID57474499
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namebis(1-hydroxycyclopentyl)methanone
SMILESO=C(C1(O)CCCC1)C1(O)CCCC1
InChIInChI=1S/C11H18O3/c12-9(10(13)5-1-2-6-10)11(14)7-3-4-8-11/h13-14H,1-8H2
InChIKeyAKMQBGDPAIDREW-UHFFFAOYSA-N
XLogP1.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxycyclopentyl)methanone?
The IUPAC name of bis(1-hydroxycyclopentyl)methanone (CID 57474499) is bis(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for bis(1-hydroxycyclopentyl)methanone?
The canonical SMILES for bis(1-hydroxycyclopentyl)methanone is O=C(C1(O)CCCC1)C1(O)CCCC1.
What is the InChIKey of bis(1-hydroxycyclopentyl)methanone?
The InChIKey is AKMQBGDPAIDREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-9(10(13)5-1-2-6-10)11(14)7-3-4-8-11/h13-14H,1-8H2.
What are the key properties of bis(1-hydroxycyclopentyl)methanone?
bis(1-hydroxycyclopentyl)methanone has a molecular weight of 198.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 57474499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).