3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde

C23H34O5 — CID 85199232

IUPAC3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde
SMILESCC(=CCc1c(O)cc(C)c(C=O)c1O)CCC=C(C)CCC(O)C(C)(C)O
InChIInChI=1S/C23H34O5/c1-15(7-6-8-16(2)10-12-21(26)23(4,5)28)9-11-18-20(25)13-17(3)19(14-24)22(18)27/h8-9,13-14,21,25-28H,6-7,10-12H2,1-5H3
InChIKeyWZJNPSYHERZTNW-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.35
Rot. Bonds10

About 3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde

3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde (PubChem CID 85199232) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol. Its IUPAC name is 3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde.

Molecular Properties

Compound Name3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde
PubChem CID85199232
Molecular FormulaC23H34O5
Molecular Weight390.52 g/mol
Exact Mass390.24
IUPAC Name3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde
SMILESCC(=CCc1c(O)cc(C)c(C=O)c1O)CCC=C(C)CCC(O)C(C)(C)O
InChIInChI=1S/C23H34O5/c1-15(7-6-8-16(2)10-12-21(26)23(4,5)28)9-11-18-20(25)13-17(3)19(14-24)22(18)27/h8-9,13-14,21,25-28H,6-7,10-12H2,1-5H3
InChIKeyWZJNPSYHERZTNW-UHFFFAOYSA-N
XLogP4.35
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
CID 164609535
5-chloro-3-[(10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
CID 162983933
3-(14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl)-4-hydroxy-6-methylpyran-2-one
CID 163167406
2-(14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl)-5-methylcyclohexa-2,5-diene-1,4-dione
CID 75149545
(3R)-5-[(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 122184714
5-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 139585020
2-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-6-methylcyclohexa-2,5-diene-1,4-dione
CID 101242469
(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol
CID 15378080
(2Z,6E,10R)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 156580639
(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 15825764
2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2S,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde
CID 163188080
2,3,4-trihydroxy-6-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
CID 5317377

Frequently Asked Questions

What is the IUPAC name of 3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde?
The IUPAC name of 3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde (CID 85199232) is 3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde.
What is the SMILES notation for 3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde?
The canonical SMILES for 3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde is CC(=CCc1c(O)cc(C)c(C=O)c1O)CCC=C(C)CCC(O)C(C)(C)O.
What is the InChIKey of 3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde?
The InChIKey is WZJNPSYHERZTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O5/c1-15(7-6-8-16(2)10-12-21(26)23(4,5)28)9-11-18-20(25)13-17(3)19(14-24)22(18)27/h8-9,13-14,21,25-28H,6-7,10-12H2,1-5H3.
What are the key properties of 3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde?
3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde has a molecular weight of 390.52 g/mol, XLogP of 4.35, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde is sourced from PubChem (CID 85199232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).