(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene

C30H56O2 — CID 87863892

IUPAC(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene
SMILESCC(C)=CCC[C@@H](C)CCOC(C[C@H](C)CCC=C(C)C)OCC[C@H](C)CCC=C(C)C
InChIInChI=1S/C30H56O2/c1-24(2)13-10-16-27(7)19-21-31-30(23-29(9)18-12-15-26(5)6)32-22-20-28(8)17-11-14-25(3)4/h13-15,27-30H,10-12,16-23H2,1-9H3/t27-,28-,29-/m1/s1
InChIKeyMQVUYDMXVPPHFH-MPFGFTFXSA-N
MW448.78 g/mol
LogP9.66
Rot. Bonds19

About (6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene

(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene (PubChem CID 87863892) has the molecular formula C30H56O2 and a molecular weight of 448.78 g/mol. Its IUPAC name is (6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene
PubChem CID87863892
Molecular FormulaC30H56O2
Molecular Weight448.78 g/mol
Exact Mass448.43
IUPAC Name(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene
SMILESCC(C)=CCC[C@@H](C)CCOC(C[C@H](C)CCC=C(C)C)OCC[C@H](C)CCC=C(C)C
InChIInChI=1S/C30H56O2/c1-24(2)13-10-16-27(7)19-21-31-30(23-29(9)18-12-15-26(5)6)32-22-20-28(8)17-11-14-25(3)4/h13-15,27-30H,10-12,16-23H2,1-9H3/t27-,28-,29-/m1/s1
InChIKeyMQVUYDMXVPPHFH-MPFGFTFXSA-N
XLogP9.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 59.66
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'}

Analyze (6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene with MolForge

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Related Compounds

(6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 90238868
(2Z)-1,1-bis[(3S)-3,7-dimethyloct-6-enoxy]-3,7-dimethylocta-2,6-diene
CID 87864001
(6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene
CID 173253621
bis(3,7-dimethyloct-6-enoxy)methanediol
CID 18544976
[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
CID 24884268
[(3R)-3,7-dimethyloct-6-enyl] (5S)-3-hydroxy-5,9-dimethyldec-8-enoate
CID 166747683
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
3,7-dimethyloct-6-enyl 2-hydroxypropanoate
CID 15413263
(2Z,4S,6R)-6,10-dimethylundeca-2,9-dien-4-ol
CID 139824549
tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane
CID 132553745
(Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol
CID 140695311
CID 173125400
CID 173125400

Frequently Asked Questions

What is the IUPAC name of (6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene?
The IUPAC name of (6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene (CID 87863892) is (6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene.
What is the SMILES notation for (6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene?
The canonical SMILES for (6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene is CC(C)=CCC[C@@H](C)CCOC(C[C@H](C)CCC=C(C)C)OCC[C@H](C)CCC=C(C)C.
What is the InChIKey of (6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene?
The InChIKey is MQVUYDMXVPPHFH-MPFGFTFXSA-N. The full InChI is InChI=1S/C30H56O2/c1-24(2)13-10-16-27(7)19-21-31-30(23-29(9)18-12-15-26(5)6)32-22-20-28(8)17-11-14-25(3)4/h13-15,27-30H,10-12,16-23H2,1-9H3/t27-,28-,29-/m1/s1.
What are the key properties of (6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene?
(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene has a molecular weight of 448.78 g/mol, XLogP of 9.66, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene is sourced from PubChem (CID 87863892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).