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

C18H32O2 — CID 142221368

IUPAC(6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene
SMILESC=C[C@@H](CC[C@H]1C(C)=CCC(C(C)C)C1C)OCOC
InChIInChI=1S/C18H32O2/c1-7-16(20-12-19-6)9-11-18-14(4)8-10-17(13(2)3)15(18)5/h7-8,13,15-18H,1,9-12H2,2-6H3/t15?,16-,17?,18-/m0/s1
InChIKeyQHEMKZYHCVIERC-IKJBURDNSA-N
MW280.45 g/mol
LogP4.82
Rot. Bonds8

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

(6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene (PubChem CID 142221368) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene
PubChem CID142221368
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene
SMILESC=C[C@@H](CC[C@H]1C(C)=CCC(C(C)C)C1C)OCOC
InChIInChI=1S/C18H32O2/c1-7-16(20-12-19-6)9-11-18-14(4)8-10-17(13(2)3)15(18)5/h7-8,13,15-18H,1,9-12H2,2-6H3/t15?,16-,17?,18-/m0/s1
InChIKeyQHEMKZYHCVIERC-IKJBURDNSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.82
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 (6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene?
The IUPAC name of (6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene (CID 142221368) is (6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene.
What is the SMILES notation for (6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene?
The canonical SMILES for (6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene is C=C[C@@H](CC[C@H]1C(C)=CCC(C(C)C)C1C)OCOC.
What is the InChIKey of (6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene?
The InChIKey is QHEMKZYHCVIERC-IKJBURDNSA-N. The full InChI is InChI=1S/C18H32O2/c1-7-16(20-12-19-6)9-11-18-14(4)8-10-17(13(2)3)15(18)5/h7-8,13,15-18H,1,9-12H2,2-6H3/t15?,16-,17?,18-/m0/s1.
What are the key properties of (6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene?
(6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene has a molecular weight of 280.45 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(3R)-3-(methoxymethoxy)pent-4-enyl]-1,5-dimethyl-4-propan-2-ylcyclohexene is sourced from PubChem (CID 142221368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).