(2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol

C9H18O3 — CID 58961460

IUPAC(2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol
SMILESCC1(CO)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H18O3/c1-7(2)8(3,4)12-9(5,6-10)11-7/h10H,6H2,1-5H3
InChIKeyGPKOMNIDOQEJEQ-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.30
Rot. Bonds1

About (2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol

(2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol (PubChem CID 58961460) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol.

Molecular Properties

Compound Name(2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol
PubChem CID58961460
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol
SMILESCC1(CO)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H18O3/c1-7(2)8(3,4)12-9(5,6-10)11-7/h10H,6H2,1-5H3
InChIKeyGPKOMNIDOQEJEQ-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol?
The IUPAC name of (2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol (CID 58961460) is (2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol.
What is the SMILES notation for (2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol?
The canonical SMILES for (2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol is CC1(CO)OC(C)(C)C(C)(C)O1.
What is the InChIKey of (2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol?
The InChIKey is GPKOMNIDOQEJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(2)8(3,4)12-9(5,6-10)11-7/h10H,6H2,1-5H3.
What are the key properties of (2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol?
(2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol has a molecular weight of 174.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,4,5,5-pentamethyl-1,3-dioxolan-2-yl)methanol is sourced from PubChem (CID 58961460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).