(4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane

C11H22O2 — CID 13072639

IUPAC(4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)[C@H]1OC(C)(C)O[C@H]1C(C)C
InChIInChI=1S/C11H22O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h7-10H,1-6H3/t9-,10+
InChIKeyNYNMFBIZDGKYBJ-AOOOYVTPSA-N
MW186.29 g/mol
LogP2.82
Rot. Bonds2

About (4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane

(4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane (PubChem CID 13072639) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane
PubChem CID13072639
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)[C@H]1OC(C)(C)O[C@H]1C(C)C
InChIInChI=1S/C11H22O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h7-10H,1-6H3/t9-,10+
InChIKeyNYNMFBIZDGKYBJ-AOOOYVTPSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane?
The IUPAC name of (4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane (CID 13072639) is (4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane.
What is the SMILES notation for (4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane?
The canonical SMILES for (4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane is CC(C)[C@H]1OC(C)(C)O[C@H]1C(C)C.
What is the InChIKey of (4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane?
The InChIKey is NYNMFBIZDGKYBJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H22O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h7-10H,1-6H3/t9-,10+.
What are the key properties of (4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane?
(4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane has a molecular weight of 186.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 13072639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).