1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one

C18H30O3 — CID 134231806

IUPAC1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one
SMILESCCCCC(=O)C1(C2=CCC[C@H](OCOC)C2)CCCC1
InChIInChI=1S/C18H30O3/c1-3-4-10-17(19)18(11-5-6-12-18)15-8-7-9-16(13-15)21-14-20-2/h8,16H,3-7,9-14H2,1-2H3/t16-/m0/s1
InChIKeyCONCFMHFIVKYHE-INIZCTEOSA-N
MW294.44 g/mol
LogP4.41
Rot. Bonds8

About 1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one

1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one (PubChem CID 134231806) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one.

Molecular Properties

Compound Name1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one
PubChem CID134231806
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one
SMILESCCCCC(=O)C1(C2=CCC[C@H](OCOC)C2)CCCC1
InChIInChI=1S/C18H30O3/c1-3-4-10-17(19)18(11-5-6-12-18)15-8-7-9-16(13-15)21-14-20-2/h8,16H,3-7,9-14H2,1-2H3/t16-/m0/s1
InChIKeyCONCFMHFIVKYHE-INIZCTEOSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one?
The IUPAC name of 1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one (CID 134231806) is 1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one.
What is the SMILES notation for 1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one?
The canonical SMILES for 1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one is CCCCC(=O)C1(C2=CCC[C@H](OCOC)C2)CCCC1.
What is the InChIKey of 1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one?
The InChIKey is CONCFMHFIVKYHE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30O3/c1-3-4-10-17(19)18(11-5-6-12-18)15-8-7-9-16(13-15)21-14-20-2/h8,16H,3-7,9-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one?
1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one has a molecular weight of 294.44 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5S)-5-(methoxymethoxy)cyclohexen-1-yl]cyclopentyl]pentan-1-one is sourced from PubChem (CID 134231806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).