1-tert-butyl-1-methoxycyclopentane

C10H20O — CID 21363571

IUPAC1-tert-butyl-1-methoxycyclopentane
SMILESCOC1(C(C)(C)C)CCCC1
InChIInChI=1S/C10H20O/c1-9(2,3)10(11-4)7-5-6-8-10/h5-8H2,1-4H3
InChIKeyNLZQEZBGMJVZCW-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds1

About 1-tert-butyl-1-methoxycyclopentane

1-tert-butyl-1-methoxycyclopentane (PubChem CID 21363571) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-tert-butyl-1-methoxycyclopentane.

Molecular Properties

Compound Name1-tert-butyl-1-methoxycyclopentane
PubChem CID21363571
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-tert-butyl-1-methoxycyclopentane
SMILESCOC1(C(C)(C)C)CCCC1
InChIInChI=1S/C10H20O/c1-9(2,3)10(11-4)7-5-6-8-10/h5-8H2,1-4H3
InChIKeyNLZQEZBGMJVZCW-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-cyclopentyl methyl ether
CID 21039860
Cyclopentanol, 1-(1,1-dimethylethyl)-
CID 11367051
2-Methoxy-2,3,5,5-tetramethylhexane
CID 12756032
3-Methoxy-2,2,3-trimethylheptane
CID 12663432
2-Methoxy-2,4,4,6,6-pentamethylheptane
CID 21096817
1-Tert-butyl-1-(methoxymethyl)cyclopentane
CID 21363574
1-Ethoxy-1-propan-2-ylcyclopentane
CID 23384736
1-Methoxy-1-propan-2-ylcyclopentane
CID 23384741
4-Methoxy-3,3-dimethyl-4-propan-2-ylheptane
CID 23385032
1-Methoxy-1-propylcyclopentane
CID 53703303
3,5-Diethyl-3-methoxy-2,6-dimethylheptane
CID 57772244
1-(Methoxymethyl)-1-propan-2-ylcyclopentane
CID 58023076

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-methoxycyclopentane?
The IUPAC name of 1-tert-butyl-1-methoxycyclopentane (CID 21363571) is 1-tert-butyl-1-methoxycyclopentane.
What is the SMILES notation for 1-tert-butyl-1-methoxycyclopentane?
The canonical SMILES for 1-tert-butyl-1-methoxycyclopentane is COC1(C(C)(C)C)CCCC1.
What is the InChIKey of 1-tert-butyl-1-methoxycyclopentane?
The InChIKey is NLZQEZBGMJVZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(2,3)10(11-4)7-5-6-8-10/h5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-1-methoxycyclopentane?
1-tert-butyl-1-methoxycyclopentane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-methoxycyclopentane is sourced from PubChem (CID 21363571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).