(3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal

C10H18O4 — CID 88553327

IUPAC(3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal
SMILESCO[C@@H](CC=O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-10(2)13-7-9(14-10)6-8(12-3)4-5-11/h5,8-9H,4,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyYACAZLZCOREGNB-IUCAKERBSA-N
MW202.25 g/mol
LogP1.13
Rot. Bonds5

About (3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal

(3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal (PubChem CID 88553327) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal.

Molecular Properties

Compound Name(3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal
PubChem CID88553327
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal
SMILESCO[C@@H](CC=O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-10(2)13-7-9(14-10)6-8(12-3)4-5-11/h5,8-9H,4,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyYACAZLZCOREGNB-IUCAKERBSA-N
XLogP1.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanedioate
CID 75090382
2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol
CID 144740302
4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 59690888
4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane
CID 13319189
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetaldehyde
CID 10986767
(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one
CID 135010323
(2S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)butane-2-sulfonic acid
CID 174649690
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine
CID 107386363
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxymethanethioic S-acid
CID 145333613

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal?
The IUPAC name of (3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal (CID 88553327) is (3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal.
What is the SMILES notation for (3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal?
The canonical SMILES for (3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal is CO[C@@H](CC=O)C[C@H]1COC(C)(C)O1.
What is the InChIKey of (3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal?
The InChIKey is YACAZLZCOREGNB-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(2)13-7-9(14-10)6-8(12-3)4-5-11/h5,8-9H,4,6-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal?
(3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal has a molecular weight of 202.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal is sourced from PubChem (CID 88553327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).