trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane

C11H20O — CID 12564478

IUPACtrans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane
SMILESCOC1([C@@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C11H20O/c1-9-5-3-4-6-10(9)11(12-2)7-8-11/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyDHWDNYJKKAPYJP-NXEZZACHSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds2

About trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane

trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane (PubChem CID 12564478) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane
PubChem CID12564478
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nametrans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane
SMILESCOC1([C@@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C11H20O/c1-9-5-3-4-6-10(9)11(12-2)7-8-11/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyDHWDNYJKKAPYJP-NXEZZACHSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane?
The IUPAC name of trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane (CID 12564478) is trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane?
The canonical SMILES for trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane is COC1([C@@H]2CCCC[C@H]2C)CC1.
What is the InChIKey of trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane?
The InChIKey is DHWDNYJKKAPYJP-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20O/c1-9-5-3-4-6-10(9)11(12-2)7-8-11/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane?
trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane has a molecular weight of 168.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane is sourced from PubChem (CID 12564478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).