(6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane

C12H24O2 — CID 163509555

IUPAC(6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane
SMILESCC(C)OCCC[C@H]1CCCC(C)O1
InChIInChI=1S/C12H24O2/c1-10(2)13-9-5-8-12-7-4-6-11(3)14-12/h10-12H,4-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyDBNRZQHFMSXOQH-PIJUOVFKSA-N
MW200.32 g/mol
LogP3.15
Rot. Bonds5

About (6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane

(6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane (PubChem CID 163509555) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane.

Molecular Properties

Compound Name(6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane
PubChem CID163509555
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane
SMILESCC(C)OCCC[C@H]1CCCC(C)O1
InChIInChI=1S/C12H24O2/c1-10(2)13-9-5-8-12-7-4-6-11(3)14-12/h10-12H,4-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyDBNRZQHFMSXOQH-PIJUOVFKSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane?
The IUPAC name of (6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane (CID 163509555) is (6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane.
What is the SMILES notation for (6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane?
The canonical SMILES for (6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane is CC(C)OCCC[C@H]1CCCC(C)O1.
What is the InChIKey of (6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane?
The InChIKey is DBNRZQHFMSXOQH-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)13-9-5-8-12-7-4-6-11(3)14-12/h10-12H,4-9H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of (6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane?
(6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane has a molecular weight of 200.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane is sourced from PubChem (CID 163509555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).