1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane

C11H22O — CID 171753288

IUPAC1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane
SMILESCOC1([C@@H](C)C(C)(C)C)CCC1
InChIInChI=1S/C11H22O/c1-9(10(2,3)4)11(12-5)7-6-8-11/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyZJRWDPCKTWOVAE-VIFPVBQESA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds2

About 1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane

1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane (PubChem CID 171753288) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane.

Molecular Properties

Compound Name1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane
PubChem CID171753288
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane
SMILESCOC1([C@@H](C)C(C)(C)C)CCC1
InChIInChI=1S/C11H22O/c1-9(10(2,3)4)11(12-5)7-6-8-11/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyZJRWDPCKTWOVAE-VIFPVBQESA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane?
The IUPAC name of 1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane (CID 171753288) is 1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane.
What is the SMILES notation for 1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane?
The canonical SMILES for 1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane is COC1([C@@H](C)C(C)(C)C)CCC1.
What is the InChIKey of 1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane?
The InChIKey is ZJRWDPCKTWOVAE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22O/c1-9(10(2,3)4)11(12-5)7-6-8-11/h9H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane?
1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,3-dimethylbutan-2-yl]-1-methoxycyclobutane is sourced from PubChem (CID 171753288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).