2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol

C18H26O5 — CID 87880265

IUPAC2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol
SMILESC=CC(O)(CO)C(C=C)(C=C)OC(C=C)(C=C)C(O)(C=C)CO
InChIInChI=1S/C18H26O5/c1-7-15(21,13-19)17(9-3,10-4)23-18(11-5,12-6)16(22,8-2)14-20/h7-12,19-22H,1-6,13-14H2
InChIKeyDCOUJYOIORQVLV-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.04
Rot. Bonds12

About 2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol

2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol (PubChem CID 87880265) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol.

Molecular Properties

Compound Name2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol
PubChem CID87880265
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol
SMILESC=CC(O)(CO)C(C=C)(C=C)OC(C=C)(C=C)C(O)(C=C)CO
InChIInChI=1S/C18H26O5/c1-7-15(21,13-19)17(9-3,10-4)23-18(11-5,12-6)16(22,8-2)14-20/h7-12,19-22H,1-6,13-14H2
InChIKeyDCOUJYOIORQVLV-UHFFFAOYSA-N
XLogP1.04
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-prop-2-enoxypent-4-en-1-ol
CID 10583026
2-(Hydroxymethyl)-3-methylidene-2-prop-2-enoxybutane-1,4-diol
CID 19900940
3-(2-Hydroxyethoxymethyl)pent-1-en-3-ol
CID 23505030
5-Ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol
CID 57299979
3-[3-(1,2-Dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol
CID 87880433
3-[[2,3-Bis(ethenyl)-2,3-dihydroxypent-4-enoxy]methyl]-4-ethenylhexa-1,5-diene-3,4-diol
CID 139720621
2-Ethenyl-3-prop-2-enoxypent-4-ene-1,2-diol
CID 141448219
3-(2-Hydroxyethoxymethyl)pent-4-ene-1,3-diol
CID 175698378
(2R)-2-methyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079974
(2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079975

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol?
The IUPAC name of 2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol (CID 87880265) is 2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol.
What is the SMILES notation for 2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol?
The canonical SMILES for 2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol is C=CC(O)(CO)C(C=C)(C=C)OC(C=C)(C=C)C(O)(C=C)CO.
What is the InChIKey of 2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol?
The InChIKey is DCOUJYOIORQVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-7-15(21,13-19)17(9-3,10-4)23-18(11-5,12-6)16(22,8-2)14-20/h7-12,19-22H,1-6,13-14H2.
What are the key properties of 2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol?
2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol has a molecular weight of 322.40 g/mol, XLogP of 1.04, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-3-[3-ethenyl-4-hydroxy-4-(hydroxymethyl)hexa-1,5-dien-3-yl]oxypent-4-ene-1,2-diol is sourced from PubChem (CID 87880265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).