(5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene

C19H34O3 — CID 142221370

IUPAC(5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene
SMILESC=C[C@@H](CC[C@H]1C(C)=CCC(C(C)C)[C@H]1COC)OCOC
InChIInChI=1S/C19H34O3/c1-7-16(22-13-21-6)9-11-18-15(4)8-10-17(14(2)3)19(18)12-20-5/h7-8,14,16-19H,1,9-13H2,2-6H3/t16-,17?,18-,19+/m0/s1
InChIKeyQHYQAWRVVFGKIB-QBUWPKIASA-N
MW310.48 g/mol
LogP4.44
Rot. Bonds10

About (5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene

(5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene (PubChem CID 142221370) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is (5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene
PubChem CID142221370
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name(5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene
SMILESC=C[C@@H](CC[C@H]1C(C)=CCC(C(C)C)[C@H]1COC)OCOC
InChIInChI=1S/C19H34O3/c1-7-16(22-13-21-6)9-11-18-15(4)8-10-17(14(2)3)19(18)12-20-5/h7-8,14,16-19H,1,9-13H2,2-6H3/t16-,17?,18-,19+/m0/s1
InChIKeyQHYQAWRVVFGKIB-QBUWPKIASA-N
XLogP4.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene?
The IUPAC name of (5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene (CID 142221370) is (5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene.
What is the SMILES notation for (5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene?
The canonical SMILES for (5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene is C=C[C@@H](CC[C@H]1C(C)=CCC(C(C)C)[C@H]1COC)OCOC.
What is the InChIKey of (5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene?
The InChIKey is QHYQAWRVVFGKIB-QBUWPKIASA-N. The full InChI is InChI=1S/C19H34O3/c1-7-16(22-13-21-6)9-11-18-15(4)8-10-17(14(2)3)19(18)12-20-5/h7-8,14,16-19H,1,9-13H2,2-6H3/t16-,17?,18-,19+/m0/s1.
What are the key properties of (5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene?
(5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene has a molecular weight of 310.48 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-5-(methoxymethyl)-1-methyl-4-propan-2-ylcyclohexene is sourced from PubChem (CID 142221370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).