(4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol

C12H22O4 — CID 71567153

IUPAC(4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol
SMILESC=CC[C@H](O)C[C@H](C=C)OCOCCOC
InChIInChI=1S/C12H22O4/c1-4-6-11(13)9-12(5-2)16-10-15-8-7-14-3/h4-5,11-13H,1-2,6-10H2,3H3/t11-,12-/m0/s1
InChIKeyPLMSNOCPABHKBY-RYUDHWBXSA-N
MW230.30 g/mol
LogP1.51
Rot. Bonds11

About (4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol

(4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol (PubChem CID 71567153) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol.

Molecular Properties

Compound Name(4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol
PubChem CID71567153
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol
SMILESC=CC[C@H](O)C[C@H](C=C)OCOCCOC
InChIInChI=1S/C12H22O4/c1-4-6-11(13)9-12(5-2)16-10-15-8-7-14-3/h4-5,11-13H,1-2,6-10H2,3H3/t11-,12-/m0/s1
InChIKeyPLMSNOCPABHKBY-RYUDHWBXSA-N
XLogP1.51
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Penten-2-ol, 3-[(2-methoxyethoxy)methoxy]-, (2S,3S)-
CID 11424055
(R)-1-((4R,5S)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 11063164
(2R,4S)-4-(methoxymethoxy)hex-5-en-2-ol
CID 56834401
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 155185118
(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11263931
(1S)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
CID 11298584
(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
CID 11513947
4-(Methoxymethoxy)hex-5-en-3-ol
CID 12916897
3-(Methoxymethoxy)oct-1-en-4-ol
CID 13025034
(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol
CID 24823369
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 46180359

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol?
The IUPAC name of (4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol (CID 71567153) is (4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol.
What is the SMILES notation for (4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol?
The canonical SMILES for (4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol is C=CC[C@H](O)C[C@H](C=C)OCOCCOC.
What is the InChIKey of (4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol?
The InChIKey is PLMSNOCPABHKBY-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H22O4/c1-4-6-11(13)9-12(5-2)16-10-15-8-7-14-3/h4-5,11-13H,1-2,6-10H2,3H3/t11-,12-/m0/s1.
What are the key properties of (4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol?
(4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol has a molecular weight of 230.30 g/mol, XLogP of 1.51, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol is sourced from PubChem (CID 71567153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).