1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane

C20H38O — CID 170756743

IUPAC1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane
SMILESCCCCC1CC1CCC(CCC1CC1CCCC)OC
InChIInChI=1S/C20H38O/c1-4-6-8-16-14-18(16)10-12-20(21-3)13-11-19-15-17(19)9-7-5-2/h16-20H,4-15H2,1-3H3
InChIKeyDLOGMYMPWNHTOB-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.21
Rot. Bonds13

About 1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane

1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane (PubChem CID 170756743) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane.

Molecular Properties

Compound Name1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane
PubChem CID170756743
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane
SMILESCCCCC1CC1CCC(CCC1CC1CCCC)OC
InChIInChI=1S/C20H38O/c1-4-6-8-16-14-18(16)10-12-20(21-3)13-11-19-15-17(19)9-7-5-2/h16-20H,4-15H2,1-3H3
InChIKeyDLOGMYMPWNHTOB-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane?
The IUPAC name of 1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane (CID 170756743) is 1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane.
What is the SMILES notation for 1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane?
The canonical SMILES for 1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane is CCCCC1CC1CCC(CCC1CC1CCCC)OC.
What is the InChIKey of 1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane?
The InChIKey is DLOGMYMPWNHTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-4-6-8-16-14-18(16)10-12-20(21-3)13-11-19-15-17(19)9-7-5-2/h16-20H,4-15H2,1-3H3.
What are the key properties of 1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane?
1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane has a molecular weight of 294.52 g/mol, XLogP of 6.21, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane is sourced from PubChem (CID 170756743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).