(5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one

C12H22O3 — CID 59012709

IUPAC(5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one
SMILESCC(=O)CC[C@H](CC1OCCO1)C(C)C
InChIInChI=1S/C12H22O3/c1-9(2)11(5-4-10(3)13)8-12-14-6-7-15-12/h9,11-12H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyDZHLZDNMQCLTHE-LLVKDONJSA-N
MW214.30 g/mol
LogP2.39
Rot. Bonds6

About (5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one

(5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one (PubChem CID 59012709) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one.

Molecular Properties

Compound Name(5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one
PubChem CID59012709
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one
SMILESCC(=O)CC[C@H](CC1OCCO1)C(C)C
InChIInChI=1S/C12H22O3/c1-9(2)11(5-4-10(3)13)8-12-14-6-7-15-12/h9,11-12H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyDZHLZDNMQCLTHE-LLVKDONJSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one?
The IUPAC name of (5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one (CID 59012709) is (5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one.
What is the SMILES notation for (5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one?
The canonical SMILES for (5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one is CC(=O)CC[C@H](CC1OCCO1)C(C)C.
What is the InChIKey of (5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one?
The InChIKey is DZHLZDNMQCLTHE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O3/c1-9(2)11(5-4-10(3)13)8-12-14-6-7-15-12/h9,11-12H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one?
(5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one has a molecular weight of 214.30 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one is sourced from PubChem (CID 59012709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).