(2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol

C12H22O2 — CID 71423337

IUPAC(2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol
SMILESC[C@H](C[C@@H](C)O)OC1=CCCC[C@H]1C
InChIInChI=1S/C12H22O2/c1-9-6-4-5-7-12(9)14-11(3)8-10(2)13/h7,9-11,13H,4-6,8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyXQKPWKTVXXRUID-GMTAPVOTSA-N
MW198.31 g/mol
LogP2.87
Rot. Bonds4

About (2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol

(2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol (PubChem CID 71423337) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol
PubChem CID71423337
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol
SMILESC[C@H](C[C@@H](C)O)OC1=CCCC[C@H]1C
InChIInChI=1S/C12H22O2/c1-9-6-4-5-7-12(9)14-11(3)8-10(2)13/h7,9-11,13H,4-6,8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyXQKPWKTVXXRUID-GMTAPVOTSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol?
The IUPAC name of (2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol (CID 71423337) is (2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol.
What is the SMILES notation for (2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol?
The canonical SMILES for (2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol is C[C@H](C[C@@H](C)O)OC1=CCCC[C@H]1C.
What is the InChIKey of (2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol?
The InChIKey is XQKPWKTVXXRUID-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-6-4-5-7-12(9)14-11(3)8-10(2)13/h7,9-11,13H,4-6,8H2,1-3H3/t9-,10-,11-/m1/s1.
What are the key properties of (2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol?
(2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol is sourced from PubChem (CID 71423337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).