(1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol

C35H62O5 — CID 132528977

IUPAC(1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol
SMILESCCCCCCCCCCCCC#CCC[C@@H](O)C1CCC(C2CCC(CCCCC[C@@H]3COC(C)(C)O3)O2)O1
InChIInChI=1S/C35H62O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31(36)32-26-27-34(39-32)33-25-24-29(38-33)21-18-17-19-22-30-28-37-35(2,3)40-30/h29-34,36H,4-14,17-28H2,1-3H3/t29?,30-,31-,32?,33?,34?/m1/s1
InChIKeyCJRLFRRRZZVKQG-RIIYGSSPSA-N
MW562.88 g/mol
LogP8.64
Rot. Bonds20

About (1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol

(1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol (PubChem CID 132528977) has the molecular formula C35H62O5 and a molecular weight of 562.88 g/mol. Its IUPAC name is (1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol
PubChem CID132528977
Molecular FormulaC35H62O5
Molecular Weight562.88 g/mol
Exact Mass562.46
IUPAC Name(1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol
SMILESCCCCCCCCCCCCC#CCC[C@@H](O)C1CCC(C2CCC(CCCCC[C@@H]3COC(C)(C)O3)O2)O1
InChIInChI=1S/C35H62O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31(36)32-26-27-34(39-32)33-25-24-29(38-33)21-18-17-19-22-30-28-37-35(2,3)40-30/h29-34,36H,4-14,17-28H2,1-3H3/t29?,30-,31-,32?,33?,34?/m1/s1
InChIKeyCJRLFRRRZZVKQG-RIIYGSSPSA-N
XLogP8.64
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.88
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol with MolForge

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Launch Full Analysis

Related Compounds

[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 132528973
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
(1S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]butan-1-ol
CID 10917907
4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]butan-1-ol
CID 100939734
(1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol
CID 16755942
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
4-[8-[5-[5-(5,6-dihydroxyhexadecyl)oxolan-2-yl]oxolan-2-yl]-2,8-dihydroxyoctyl]-2-methyl-2H-furan-5-one
CID 75069318
(2S)-4-[(2R,8S)-8-[(2S,5S)-5-[(2S,5R)-5-(5,6-dihydroxyhexadecyl)oxolan-2-yl]oxolan-2-yl]-2,8-dihydroxyoctyl]-2-methyl-2H-furan-5-one
CID 102513080
(5R)-5-[(2S,5S)-5-[(1R)-3-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypropyl]oxolan-2-yl]oxolan-2-one
CID 10671431

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol?
The IUPAC name of (1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol (CID 132528977) is (1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol.
What is the SMILES notation for (1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol?
The canonical SMILES for (1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol is CCCCCCCCCCCCC#CCC[C@@H](O)C1CCC(C2CCC(CCCCC[C@@H]3COC(C)(C)O3)O2)O1.
What is the InChIKey of (1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol?
The InChIKey is CJRLFRRRZZVKQG-RIIYGSSPSA-N. The full InChI is InChI=1S/C35H62O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31(36)32-26-27-34(39-32)33-25-24-29(38-33)21-18-17-19-22-30-28-37-35(2,3)40-30/h29-34,36H,4-14,17-28H2,1-3H3/t29?,30-,31-,32?,33?,34?/m1/s1.
What are the key properties of (1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol?
(1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol has a molecular weight of 562.88 g/mol, XLogP of 8.64, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol is sourced from PubChem (CID 132528977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).