(4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol

C16H28O5 — CID 51042523

IUPAC(4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol
SMILESC=CC[C@@H](O)/C=C/C[C@@H](OCOC)[C@@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C16H28O5/c1-6-8-13(17)9-7-10-14(19-11-18-5)15-12(2)20-16(3,4)21-15/h6-7,9,12-15,17H,1,8,10-11H2,2-5H3/b9-7+/t12-,13-,14-,15-/m1/s1
InChIKeyASKRMASWJLQGAQ-AKFXSUOTSA-N
MW300.40 g/mol
LogP2.40
Rot. Bonds9

About (4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol

(4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol (PubChem CID 51042523) has the molecular formula C16H28O5 and a molecular weight of 300.40 g/mol. Its IUPAC name is (4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol.

Molecular Properties

Compound Name(4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol
PubChem CID51042523
Molecular FormulaC16H28O5
Molecular Weight300.40 g/mol
Exact Mass300.19
IUPAC Name(4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol
SMILESC=CC[C@@H](O)/C=C/C[C@@H](OCOC)[C@@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C16H28O5/c1-6-8-13(17)9-7-10-14(19-11-18-5)15-12(2)20-16(3,4)21-15/h6-7,9,12-15,17H,1,8,10-11H2,2-5H3/b9-7+/t12-,13-,14-,15-/m1/s1
InChIKeyASKRMASWJLQGAQ-AKFXSUOTSA-N
XLogP2.40
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Launch Full Analysis

Related Compounds

1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 14039904
(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 102435933
(1R)-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10922889
1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol
CID 18740051
(1R)-1-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)pentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-1-ol
CID 102339676
(5E)-2-methyldeca-5,9-diene-3,7-diol
CID 165357860
(2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol
CID 59901827
(1S,2R)-1-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol
CID 101003174
(Z,2S)-5-[(4S,5S)-5-[1-[(4-methoxyphenyl)methoxy]but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 23624556
(4S,5R)-4-[(1S)-1-bromoprop-2-enyl]-2,2,5-trimethyl-1,3-dioxolane
CID 10728434
(5E)-nona-1,5-dien-4-ol
CID 10931514
(1S)-1-[(2S,3S,5R,6R)-3-[(1R)-1-hydroxybut-3-enyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol
CID 102402644

Frequently Asked Questions

What is the IUPAC name of (4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol?
The IUPAC name of (4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol (CID 51042523) is (4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol.
What is the SMILES notation for (4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol?
The canonical SMILES for (4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol is C=CC[C@@H](O)/C=C/C[C@@H](OCOC)[C@@H]1OC(C)(C)O[C@@H]1C.
What is the InChIKey of (4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol?
The InChIKey is ASKRMASWJLQGAQ-AKFXSUOTSA-N. The full InChI is InChI=1S/C16H28O5/c1-6-8-13(17)9-7-10-14(19-11-18-5)15-12(2)20-16(3,4)21-15/h6-7,9,12-15,17H,1,8,10-11H2,2-5H3/b9-7+/t12-,13-,14-,15-/m1/s1.
What are the key properties of (4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol?
(4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol has a molecular weight of 300.40 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E,8R)-8-(methoxymethoxy)-8-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]octa-1,5-dien-4-ol is sourced from PubChem (CID 51042523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).