(6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol

C23H44O5 — CID 130424679

IUPAC(6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol
SMILESCCC(OC)C(C)CCCC/C=C/C=C(\C)CC(CC(OC)C(O)OC)OC
InChIInChI=1S/C23H44O5/c1-8-21(26-5)19(3)15-13-11-9-10-12-14-18(2)16-20(25-4)17-22(27-6)23(24)28-7/h10,12,14,19-24H,8-9,11,13,15-17H2,1-7H3/b12-10+,18-14+
InChIKeyJSAKDUDTTNBRHI-MNCUKKGWSA-N
MW400.60 g/mol
LogP4.89
Rot. Bonds17

About (6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol

(6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol (PubChem CID 130424679) has the molecular formula C23H44O5 and a molecular weight of 400.60 g/mol. Its IUPAC name is (6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol.

Molecular Properties

Compound Name(6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol
PubChem CID130424679
Molecular FormulaC23H44O5
Molecular Weight400.60 g/mol
Exact Mass400.32
IUPAC Name(6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol
SMILESCCC(OC)C(C)CCCC/C=C/C=C(\C)CC(CC(OC)C(O)OC)OC
InChIInChI=1S/C23H44O5/c1-8-21(26-5)19(3)15-13-11-9-10-12-14-18(2)16-20(25-4)17-22(27-6)23(24)28-7/h10,12,14,19-24H,8-9,11,13,15-17H2,1-7H3/b12-10+,18-14+
InChIKeyJSAKDUDTTNBRHI-MNCUKKGWSA-N
XLogP4.89
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methanol;(3E,5E)-8,10,11-trimethoxy-1-[3-(3-methoxypentan-2-yl)oxiran-2-yl]-2,6-dimethylundeca-3,5-diene-1,11-diol
CID 145368377
ethane;(6E,8E)-1,4,15-trimethoxy-6,10,14-trimethylheptadeca-6,8-diene-1,11-diol
CID 145368408
2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane
CID 145368357
(6S,7R)-7-methoxy-6-methylnonanal
CID 24879565
(3R,4S,9R,11R)-3-methoxy-4-methyldotriacontane-9,11-diol
CID 102107820
(6E,8E,13S)-1,2,15-trimethoxy-6,10,14-trimethylheptadeca-6,8-diene-1,11,13-triol
CID 145368477
(3E,5E)-8-methoxy-1-[2-(3-methoxypentan-2-yl)cyclopropyl]-2,6-dimethylundeca-3,5-diene-1,11-diol
CID 145368393
5-methoxy-3,6-dimethylnon-2-enal
CID 123310821
(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol
CID 10922612
(5E,7E,11R)-11-methoxy-8-methyltetradeca-5,7,13-trienal
CID 102001360
(1R)-1-methoxy-2-methylbutan-1-ol
CID 88580756
5-methoxy-3-methyloct-2-enal
CID 91583504

Frequently Asked Questions

What is the IUPAC name of (6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol?
The IUPAC name of (6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol (CID 130424679) is (6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol.
What is the SMILES notation for (6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol?
The canonical SMILES for (6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol is CCC(OC)C(C)CCCC/C=C/C=C(\C)CC(CC(OC)C(O)OC)OC.
What is the InChIKey of (6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol?
The InChIKey is JSAKDUDTTNBRHI-MNCUKKGWSA-N. The full InChI is InChI=1S/C23H44O5/c1-8-21(26-5)19(3)15-13-11-9-10-12-14-18(2)16-20(25-4)17-22(27-6)23(24)28-7/h10,12,14,19-24H,8-9,11,13,15-17H2,1-7H3/b12-10+,18-14+.
What are the key properties of (6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol?
(6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol has a molecular weight of 400.60 g/mol, XLogP of 4.89, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-1,2,4,15-tetramethoxy-6,14-dimethylheptadeca-6,8-dien-1-ol is sourced from PubChem (CID 130424679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).