(4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene

C19H34O2 — CID 59987682

IUPAC(4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene
SMILESC=CCC(C)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1C(OC)OC
InChIInChI=1S/C19H34O2/c1-8-9-14(4)12-17-15(5)10-11-16(13(2)3)18(17)19(20-6)21-7/h8,10,13-14,16-19H,1,9,11-12H2,2-7H3/t14?,16-,17+,18-/m1/s1
InChIKeyVMISIMDIOQCXOI-NXCDMZCRSA-N
MW294.48 g/mol
LogP5.06
Rot. Bonds8

About (4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene

(4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene (PubChem CID 59987682) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene
PubChem CID59987682
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene
SMILESC=CCC(C)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1C(OC)OC
InChIInChI=1S/C19H34O2/c1-8-9-14(4)12-17-15(5)10-11-16(13(2)3)18(17)19(20-6)21-7/h8,10,13-14,16-19H,1,9,11-12H2,2-7H3/t14?,16-,17+,18-/m1/s1
InChIKeyVMISIMDIOQCXOI-NXCDMZCRSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene?
The IUPAC name of (4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene (CID 59987682) is (4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene.
What is the SMILES notation for (4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene?
The canonical SMILES for (4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene is C=CCC(C)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1C(OC)OC.
What is the InChIKey of (4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene?
The InChIKey is VMISIMDIOQCXOI-NXCDMZCRSA-N. The full InChI is InChI=1S/C19H34O2/c1-8-9-14(4)12-17-15(5)10-11-16(13(2)3)18(17)19(20-6)21-7/h8,10,13-14,16-19H,1,9,11-12H2,2-7H3/t14?,16-,17+,18-/m1/s1.
What are the key properties of (4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene?
(4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene has a molecular weight of 294.48 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-5-(dimethoxymethyl)-1-methyl-6-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene is sourced from PubChem (CID 59987682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).