(2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde

C12H22O2Sn — CID 11209301

IUPAC(2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde
SMILESC=C(C[C@@H](C)C[C@@H]1O[C@H]1C=O)[Sn](C)(C)C
InChIInChI=1S/C9H13O2.3CH3.Sn/c1-3-4-7(2)5-8-9(6-10)11-8;;;;/h6-9H,1,4-5H2,2H3;3*1H3;/t7-,8+,9+;;;;/m1..../s1
InChIKeyCRABCUCOVMAGEO-GSVPDXROSA-N
MW317.02 g/mol
LogP2.80
Rot. Bonds6

About (2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde

(2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde (PubChem CID 11209301) has the molecular formula C12H22O2Sn and a molecular weight of 317.02 g/mol. Its IUPAC name is (2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde
PubChem CID11209301
Molecular FormulaC12H22O2Sn
Molecular Weight317.02 g/mol
Exact Mass318.06
IUPAC Name(2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde
SMILESC=C(C[C@@H](C)C[C@@H]1O[C@H]1C=O)[Sn](C)(C)C
InChIInChI=1S/C9H13O2.3CH3.Sn/c1-3-4-7(2)5-8-9(6-10)11-8;;;;/h6-9H,1,4-5H2,2H3;3*1H3;/t7-,8+,9+;;;;/m1..../s1
InChIKeyCRABCUCOVMAGEO-GSVPDXROSA-N
XLogP2.80
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.02
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-6-methylhept-6-en-2-yl]oxirane-2-carbaldehyde
CID 102277936
(2R,3S)-3-[(2R)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde
CID 177541773

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde?
The IUPAC name of (2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde (CID 11209301) is (2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde.
What is the SMILES notation for (2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde?
The canonical SMILES for (2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde is C=C(C[C@@H](C)C[C@@H]1O[C@H]1C=O)[Sn](C)(C)C.
What is the InChIKey of (2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde?
The InChIKey is CRABCUCOVMAGEO-GSVPDXROSA-N. The full InChI is InChI=1S/C9H13O2.3CH3.Sn/c1-3-4-7(2)5-8-9(6-10)11-8;;;;/h6-9H,1,4-5H2,2H3;3*1H3;/t7-,8+,9+;;;;/m1..../s1.
What are the key properties of (2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde?
(2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde has a molecular weight of 317.02 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxirane-2-carbaldehyde is sourced from PubChem (CID 11209301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).