[(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol

C19H34O3 — CID 59987670

IUPAC[(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol
SMILESC=C[C@H](OCOC)[C@@H](C)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1CO
InChIInChI=1S/C19H34O3/c1-7-19(22-12-21-6)15(5)10-17-14(4)8-9-16(13(2)3)18(17)11-20/h7-8,13,15-20H,1,9-12H2,2-6H3/t15-,16+,17-,18+,19-/m0/s1
InChIKeyVSXLMGUNPQDQEF-APAFKAMOSA-N
MW310.48 g/mol
LogP4.03
Rot. Bonds9

About [(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol

[(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol (PubChem CID 59987670) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is [(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol
PubChem CID59987670
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name[(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol
SMILESC=C[C@H](OCOC)[C@@H](C)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1CO
InChIInChI=1S/C19H34O3/c1-7-19(22-12-21-6)15(5)10-17-14(4)8-9-16(13(2)3)18(17)11-20/h7-8,13,15-20H,1,9-12H2,2-6H3/t15-,16+,17-,18+,19-/m0/s1
InChIKeyVSXLMGUNPQDQEF-APAFKAMOSA-N
XLogP4.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol 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 [(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol (CID 59987670) is [(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol is C=C[C@H](OCOC)[C@@H](C)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1CO.
What is the InChIKey of [(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol?
The InChIKey is VSXLMGUNPQDQEF-APAFKAMOSA-N. The full InChI is InChI=1S/C19H34O3/c1-7-19(22-12-21-6)15(5)10-17-14(4)8-9-16(13(2)3)18(17)11-20/h7-8,13,15-20H,1,9-12H2,2-6H3/t15-,16+,17-,18+,19-/m0/s1.
What are the key properties of [(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol?
[(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol has a molecular weight of 310.48 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,6R)-2-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 59987670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).