1-(1-ethoxycyclopentyl)-5-methylhexan-1-one

C14H26O2 — CID 116747883

IUPAC1-(1-ethoxycyclopentyl)-5-methylhexan-1-one
SMILESCCOC1(C(=O)CCCC(C)C)CCCC1
InChIInChI=1S/C14H26O2/c1-4-16-14(10-5-6-11-14)13(15)9-7-8-12(2)3/h12H,4-11H2,1-3H3
InChIKeyQHKMAYHFYVADQM-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds7

About 1-(1-ethoxycyclopentyl)-5-methylhexan-1-one

1-(1-ethoxycyclopentyl)-5-methylhexan-1-one (PubChem CID 116747883) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-5-methylhexan-1-one.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-5-methylhexan-1-one
PubChem CID116747883
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(1-ethoxycyclopentyl)-5-methylhexan-1-one
SMILESCCOC1(C(=O)CCCC(C)C)CCCC1
InChIInChI=1S/C14H26O2/c1-4-16-14(10-5-6-11-14)13(15)9-7-8-12(2)3/h12H,4-11H2,1-3H3
InChIKeyQHKMAYHFYVADQM-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-5-methylhexan-1-one?
The IUPAC name of 1-(1-ethoxycyclopentyl)-5-methylhexan-1-one (CID 116747883) is 1-(1-ethoxycyclopentyl)-5-methylhexan-1-one.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-5-methylhexan-1-one?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-5-methylhexan-1-one is CCOC1(C(=O)CCCC(C)C)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-5-methylhexan-1-one?
The InChIKey is QHKMAYHFYVADQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-16-14(10-5-6-11-14)13(15)9-7-8-12(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-5-methylhexan-1-one?
1-(1-ethoxycyclopentyl)-5-methylhexan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-5-methylhexan-1-one is sourced from PubChem (CID 116747883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).