2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal

C15H24O2 — CID 11817224

IUPAC2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](OC)[C@H]1C(C)(C)C=O
InChIInChI=1S/C15H24O2/c1-10(2)12-8-7-11(3)14(17-6)13(12)15(4,5)9-16/h7,9,12-14H,1,8H2,2-6H3/t12-,13-,14-/m0/s1
InChIKeyPOYJKWAHVMIUPQ-IHRRRGAJSA-N
MW236.35 g/mol
LogP3.38
Rot. Bonds4

About 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal

2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal (PubChem CID 11817224) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal.

Molecular Properties

Compound Name2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal
PubChem CID11817224
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](OC)[C@H]1C(C)(C)C=O
InChIInChI=1S/C15H24O2/c1-10(2)12-8-7-11(3)14(17-6)13(12)15(4,5)9-16/h7,9,12-14H,1,8H2,2-6H3/t12-,13-,14-/m0/s1
InChIKeyPOYJKWAHVMIUPQ-IHRRRGAJSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal?
The IUPAC name of 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal (CID 11817224) is 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal.
What is the SMILES notation for 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal?
The canonical SMILES for 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal is C=C(C)[C@@H]1CC=C(C)[C@H](OC)[C@H]1C(C)(C)C=O.
What is the InChIKey of 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal?
The InChIKey is POYJKWAHVMIUPQ-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)12-8-7-11(3)14(17-6)13(12)15(4,5)9-16/h7,9,12-14H,1,8H2,2-6H3/t12-,13-,14-/m0/s1.
What are the key properties of 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal?
2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal has a molecular weight of 236.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal is sourced from PubChem (CID 11817224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).