(Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol

C18H32O5 — CID 10735059

IUPAC(Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol
SMILESCOC1(/C=C\CC(O)CCC2(C)COC(C)(C)O2)CCCCO1
InChIInChI=1S/C18H32O5/c1-16(2)22-14-17(3,23-16)12-9-15(19)8-7-11-18(20-4)10-5-6-13-21-18/h7,11,15,19H,5-6,8-10,12-14H2,1-4H3/b11-7-
InChIKeyDCIPSFAXZOLKEE-XFFZJAGNSA-N
MW328.45 g/mol
LogP3.16
Rot. Bonds7

About (Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol

(Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol (PubChem CID 10735059) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is (Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol.

Molecular Properties

Compound Name(Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol
PubChem CID10735059
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name(Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol
SMILESCOC1(/C=C\CC(O)CCC2(C)COC(C)(C)O2)CCCCO1
InChIInChI=1S/C18H32O5/c1-16(2)22-14-17(3,23-16)12-9-15(19)8-7-11-18(20-4)10-5-6-13-21-18/h7,11,15,19H,5-6,8-10,12-14H2,1-4H3/b11-7-
InChIKeyDCIPSFAXZOLKEE-XFFZJAGNSA-N
XLogP3.16
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4S,5S,6R)-2-[(3S,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-1,6-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 23844032
Laevigatol D
CID 54582230
Attenol A
CID 10362499
Attenol B
CID 10643636
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(6E)-3,7-dimethyloctadeca-1,6-dien-3-yl]oxyoxane-3,4,5-triol
CID 100983860
Daedatrin K
CID 146682593
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxyoxane-3,4,5-triol
CID 162886979
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(2S,5R)-5-[(4S)-4-hydroxy-4-methylhexa-1,5-dienyl]-5-methyloxolan-2-yl]propan-2-yloxy]oxane-3,4,5-triol
CID 162923112
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(2S,5R)-5-[(1E,4S)-4-hydroxy-4-methylhexa-1,5-dienyl]-5-methyloxolan-2-yl]propan-2-yloxy]oxane-3,4,5-triol
CID 162923113
(2R,3R,4S,5S,6R)-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enoxy]-6-[[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 162943699
(2R,3R,4S,5S,6R)-2-[(3S,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-1,6-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162945724
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R,6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxyoxane-3,4,5-triol
CID 162955209

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol?
The IUPAC name of (Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol (CID 10735059) is (Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol.
What is the SMILES notation for (Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol?
The canonical SMILES for (Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol is COC1(/C=C\CC(O)CCC2(C)COC(C)(C)O2)CCCCO1.
What is the InChIKey of (Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol?
The InChIKey is DCIPSFAXZOLKEE-XFFZJAGNSA-N. The full InChI is InChI=1S/C18H32O5/c1-16(2)22-14-17(3,23-16)12-9-15(19)8-7-11-18(20-4)10-5-6-13-21-18/h7,11,15,19H,5-6,8-10,12-14H2,1-4H3/b11-7-.
What are the key properties of (Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol?
(Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol has a molecular weight of 328.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(2-methoxyoxan-2-yl)-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)hex-5-en-3-ol is sourced from PubChem (CID 10735059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).