8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol

C24H38O5 — CID 77284192

IUPAC8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol
SMILESCC#CCCC=C(C)C(O)CC=CCCCC1(CCC2(C)OCCO2)OCCO1
InChIInChI=1S/C24H38O5/c1-4-5-6-9-12-21(2)22(25)13-10-7-8-11-14-24(28-19-20-29-24)16-15-23(3)26-17-18-27-23/h7,10,12,22,25H,6,8-9,11,13-20H2,1-3H3
InChIKeyYJIZKXDXUYRMEU-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.50
Rot. Bonds12

About 8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol

8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol (PubChem CID 77284192) has the molecular formula C24H38O5 and a molecular weight of 406.56 g/mol. Its IUPAC name is 8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol.

Molecular Properties

Compound Name8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol
PubChem CID77284192
Molecular FormulaC24H38O5
Molecular Weight406.56 g/mol
Exact Mass406.27
IUPAC Name8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol
SMILESCC#CCCC=C(C)C(O)CC=CCCCC1(CCC2(C)OCCO2)OCCO1
InChIInChI=1S/C24H38O5/c1-4-5-6-9-12-21(2)22(25)13-10-7-8-11-14-24(28-19-20-29-24)16-15-23(3)26-17-18-27-23/h7,10,12,22,25H,6,8-9,11,13-20H2,1-3H3
InChIKeyYJIZKXDXUYRMEU-UHFFFAOYSA-N
XLogP4.50
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z,1R,5R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-3-ene-1,5-diol
CID 101750132
2-methyl-2-[2-[2-[(4E,8E)-8-methyltetradeca-4,8-dien-12-ynyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane
CID 164676248
(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol
CID 54200969
2-Methyl-2-[2-[2-(8-methyltrideca-4,8-dien-12-ynyl)-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane
CID 56995378
(E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol
CID 67122226
(4E,8E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol
CID 67122227
8-Methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol
CID 77284191
ethane;(E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol
CID 144360429
(Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol
CID 158123643
(Z,3R)-8-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]oct-4-en-3-ol
CID 10245846
(E,3S,8R)-8-(methoxymethoxy)-8-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]oct-6-en-1-yn-3-ol
CID 10929576
(5S,11R)-11-(methoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(methoxymethoxy)oct-2-en-7-ynyl]oxolan-2-yl]oxolan-2-yl]undecan-5-ol
CID 10940487

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol?
The IUPAC name of 8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol (CID 77284192) is 8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol.
What is the SMILES notation for 8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol?
The canonical SMILES for 8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol is CC#CCCC=C(C)C(O)CC=CCCCC1(CCC2(C)OCCO2)OCCO1.
What is the InChIKey of 8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol?
The InChIKey is YJIZKXDXUYRMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O5/c1-4-5-6-9-12-21(2)22(25)13-10-7-8-11-14-24(28-19-20-29-24)16-15-23(3)26-17-18-27-23/h7,10,12,22,25H,6,8-9,11,13-20H2,1-3H3.
What are the key properties of 8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol?
8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol has a molecular weight of 406.56 g/mol, XLogP of 4.50, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradeca-4,8-dien-12-yn-7-ol is sourced from PubChem (CID 77284192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).