1-(1-methoxycycloheptyl)-2-methylpentan-1-one

C14H26O2 — CID 107896414

IUPAC1-(1-methoxycycloheptyl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1(OC)CCCCCC1
InChIInChI=1S/C14H26O2/c1-4-9-12(2)13(15)14(16-3)10-7-5-6-8-11-14/h12H,4-11H2,1-3H3
InChIKeySNRHSOSUQRWDFB-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds5

About 1-(1-methoxycycloheptyl)-2-methylpentan-1-one

1-(1-methoxycycloheptyl)-2-methylpentan-1-one (PubChem CID 107896414) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)-2-methylpentan-1-one
PubChem CID107896414
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(1-methoxycycloheptyl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1(OC)CCCCCC1
InChIInChI=1S/C14H26O2/c1-4-9-12(2)13(15)14(16-3)10-7-5-6-8-11-14/h12H,4-11H2,1-3H3
InChIKeySNRHSOSUQRWDFB-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

1-(1-methoxycyclopentyl)-2-methylpropan-1-one
CID 104610067
1-[1-(aminomethyl)cyclohexyl]-2-methylpentan-1-one
CID 107890311
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
CID 107896407
1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one
CID 107890324
1-(1-methoxycyclohexyl)butan-1-one
CID 83225702
2-methyl-1-(1-methylcyclopropyl)pentan-1-one
CID 107896359
1-(1-methoxycyclooctyl)propan-1-one
CID 83225194
1-(1-methoxycyclohexyl)-3-methylpentan-1-one
CID 116748049
1-(1-methoxycyclohexyl)-5-methylhexan-1-one
CID 116748157
4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one
CID 116749704
1-(1-methoxycycloheptyl)ethanone
CID 83225564
(1-ethylcyclopentyl) 2-methylpentanoate
CID 70972017

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)-2-methylpentan-1-one?
The IUPAC name of 1-(1-methoxycycloheptyl)-2-methylpentan-1-one (CID 107896414) is 1-(1-methoxycycloheptyl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(1-methoxycycloheptyl)-2-methylpentan-1-one?
The canonical SMILES for 1-(1-methoxycycloheptyl)-2-methylpentan-1-one is CCCC(C)C(=O)C1(OC)CCCCCC1.
What is the InChIKey of 1-(1-methoxycycloheptyl)-2-methylpentan-1-one?
The InChIKey is SNRHSOSUQRWDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-9-12(2)13(15)14(16-3)10-7-5-6-8-11-14/h12H,4-11H2,1-3H3.
What are the key properties of 1-(1-methoxycycloheptyl)-2-methylpentan-1-one?
1-(1-methoxycycloheptyl)-2-methylpentan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycycloheptyl)-2-methylpentan-1-one is sourced from PubChem (CID 107896414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).