cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde

C12H20O3 — CID 10954862

IUPACcis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde
SMILESCC1(CC[C@@H]2[C@H](C=O)C2(C)C)OCCO1
InChIInChI=1S/C12H20O3/c1-11(2)9(10(11)8-13)4-5-12(3)14-6-7-15-12/h8-10H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyHAQCJWRCKQSGJM-ZJUUUORDSA-N
MW212.29 g/mol
LogP2.00
Rot. Bonds4

About cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde

cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde (PubChem CID 10954862) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde
PubChem CID10954862
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namecis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde
SMILESCC1(CC[C@@H]2[C@H](C=O)C2(C)C)OCCO1
InChIInChI=1S/C12H20O3/c1-11(2)9(10(11)8-13)4-5-12(3)14-6-7-15-12/h8-10H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyHAQCJWRCKQSGJM-ZJUUUORDSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde 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 cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde (CID 10954862) is cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde is CC1(CC[C@@H]2[C@H](C=O)C2(C)C)OCCO1.
What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde?
The InChIKey is HAQCJWRCKQSGJM-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H20O3/c1-11(2)9(10(11)8-13)4-5-12(3)14-6-7-15-12/h8-10H,4-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde?
cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 10954862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).