(1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol

C11H20O3 — CID 162453236

IUPAC(1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C2(C)OCCO2)[C@H](O)C1
InChIInChI=1S/C11H20O3/c1-8-3-4-9(10(12)7-8)11(2)13-5-6-14-11/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyKHSRNJNXVULHES-OPRDCNLKSA-N
MW200.28 g/mol
LogP1.55
Rot. Bonds1

About (1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol

(1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol (PubChem CID 162453236) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol
PubChem CID162453236
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C2(C)OCCO2)[C@H](O)C1
InChIInChI=1S/C11H20O3/c1-8-3-4-9(10(12)7-8)11(2)13-5-6-14-11/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyKHSRNJNXVULHES-OPRDCNLKSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol?
The IUPAC name of (1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol (CID 162453236) is (1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol is C[C@@H]1CC[C@@H](C2(C)OCCO2)[C@H](O)C1.
What is the InChIKey of (1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol?
The InChIKey is KHSRNJNXVULHES-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H20O3/c1-8-3-4-9(10(12)7-8)11(2)13-5-6-14-11/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol?
(1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 162453236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).