(3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal

C12H22O3 — CID 15224148

IUPAC(3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal
SMILESC[C@@H](CC=O)CCC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C12H22O3/c1-10(7-8-13)5-4-6-11-9-14-12(2,3)15-11/h8,10-11H,4-7,9H2,1-3H3/t10-,11-/m1/s1
InChIKeyZVJRVYWSXRWTBO-GHMZBOCLSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds6

About (3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal

(3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal (PubChem CID 15224148) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal.

Molecular Properties

Compound Name(3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal
PubChem CID15224148
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal
SMILESC[C@@H](CC=O)CCC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C12H22O3/c1-10(7-8-13)5-4-6-11-9-14-12(2,3)15-11/h8,10-11H,4-7,9H2,1-3H3/t10-,11-/m1/s1
InChIKeyZVJRVYWSXRWTBO-GHMZBOCLSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal?
The IUPAC name of (3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal (CID 15224148) is (3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal.
What is the SMILES notation for (3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal?
The canonical SMILES for (3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal is C[C@@H](CC=O)CCC[C@@H]1COC(C)(C)O1.
What is the InChIKey of (3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal?
The InChIKey is ZVJRVYWSXRWTBO-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22O3/c1-10(7-8-13)5-4-6-11-9-14-12(2,3)15-11/h8,10-11H,4-7,9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal?
(3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal has a molecular weight of 214.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal is sourced from PubChem (CID 15224148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).