1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane

C24H44O3 — CID 174347598

IUPAC1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane
SMILESCOC1(C)CCC(CCC2(OC)CCC(CC(C)C3(OC)CCCC3)C2)C1
InChIInChI=1S/C24H44O3/c1-19(24(27-5)11-6-7-12-24)16-21-10-15-23(18-21,26-4)14-9-20-8-13-22(2,17-20)25-3/h19-21H,6-18H2,1-5H3
InChIKeyQOOSKLKRMLZRBS-UHFFFAOYSA-N
MW380.61 g/mol
LogP6.14
Rot. Bonds9

About 1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane

1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane (PubChem CID 174347598) has the molecular formula C24H44O3 and a molecular weight of 380.61 g/mol. Its IUPAC name is 1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane.

Molecular Properties

Compound Name1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane
PubChem CID174347598
Molecular FormulaC24H44O3
Molecular Weight380.61 g/mol
Exact Mass380.33
IUPAC Name1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane
SMILESCOC1(C)CCC(CCC2(OC)CCC(CC(C)C3(OC)CCCC3)C2)C1
InChIInChI=1S/C24H44O3/c1-19(24(27-5)11-6-7-12-24)16-21-10-15-23(18-21,26-4)14-9-20-8-13-22(2,17-20)25-3/h19-21H,6-18H2,1-5H3
InChIKeyQOOSKLKRMLZRBS-UHFFFAOYSA-N
XLogP6.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane?
The IUPAC name of 1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane (CID 174347598) is 1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane.
What is the SMILES notation for 1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane?
The canonical SMILES for 1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane is COC1(C)CCC(CCC2(OC)CCC(CC(C)C3(OC)CCCC3)C2)C1.
What is the InChIKey of 1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane?
The InChIKey is QOOSKLKRMLZRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O3/c1-19(24(27-5)11-6-7-12-24)16-21-10-15-23(18-21,26-4)14-9-20-8-13-22(2,17-20)25-3/h19-21H,6-18H2,1-5H3.
What are the key properties of 1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane?
1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane has a molecular weight of 380.61 g/mol, XLogP of 6.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane is sourced from PubChem (CID 174347598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).