(2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal

C15H24O3 — CID 11791682

IUPAC(2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal
SMILESC=C(C)[C@@H]1CC(C)=C[C@@H](OCOC)[C@H]1[C@@H](C)C=O
InChIInChI=1S/C15H24O3/c1-10(2)13-6-11(3)7-14(18-9-17-5)15(13)12(4)8-16/h7-8,12-15H,1,6,9H2,2-5H3/t12-,13-,14+,15-/m0/s1
InChIKeyHITKPSVLMATDEO-XQLPTFJDSA-N
MW252.35 g/mol
LogP2.97
Rot. Bonds6

About (2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal

(2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal (PubChem CID 11791682) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal
PubChem CID11791682
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal
SMILESC=C(C)[C@@H]1CC(C)=C[C@@H](OCOC)[C@H]1[C@@H](C)C=O
InChIInChI=1S/C15H24O3/c1-10(2)13-6-11(3)7-14(18-9-17-5)15(13)12(4)8-16/h7-8,12-15H,1,6,9H2,2-5H3/t12-,13-,14+,15-/m0/s1
InChIKeyHITKPSVLMATDEO-XQLPTFJDSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal?
The IUPAC name of (2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal (CID 11791682) is (2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal.
What is the SMILES notation for (2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal?
The canonical SMILES for (2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal is C=C(C)[C@@H]1CC(C)=C[C@@H](OCOC)[C@H]1[C@@H](C)C=O.
What is the InChIKey of (2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal?
The InChIKey is HITKPSVLMATDEO-XQLPTFJDSA-N. The full InChI is InChI=1S/C15H24O3/c1-10(2)13-6-11(3)7-14(18-9-17-5)15(13)12(4)8-16/h7-8,12-15H,1,6,9H2,2-5H3/t12-,13-,14+,15-/m0/s1.
What are the key properties of (2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal?
(2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal has a molecular weight of 252.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,2S,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal is sourced from PubChem (CID 11791682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).