(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol

C9H18O3 — CID 10464798

IUPAC(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H18O3/c1-6(2)8(10)7-5-11-9(3,4)12-7/h6-8,10H,5H2,1-4H3/t7-,8-/m1/s1
InChIKeyXXPJOMICTNLQOF-HTQZYQBOSA-N
MW174.24 g/mol
LogP1.15
Rot. Bonds2

About (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol

(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol (PubChem CID 10464798) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
PubChem CID10464798
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H18O3/c1-6(2)8(10)7-5-11-9(3,4)12-7/h6-8,10H,5H2,1-4H3/t7-,8-/m1/s1
InChIKeyXXPJOMICTNLQOF-HTQZYQBOSA-N
XLogP1.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol?
The IUPAC name of (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol (CID 10464798) is (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol?
The canonical SMILES for (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol is CC(C)[C@@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol?
The InChIKey is XXPJOMICTNLQOF-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18O3/c1-6(2)8(10)7-5-11-9(3,4)12-7/h6-8,10H,5H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol?
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 10464798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).