(1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol

C30H36O3 — CID 53247789

IUPAC(1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol
SMILESOCCCCCC[C@@H](O)[C@@H]1C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36O3/c31-21-13-2-1-12-20-29(32)28-22-24(28)23-33-30(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,14-19,24,28-29,31-32H,1-2,12-13,20-23H2/t24-,28+,29+/m0/s1
InChIKeyDBHUKUFBHFORKR-TUMTZTIRSA-N
MW444.62 g/mol
LogP5.93
Rot. Bonds13

About (1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol

(1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol (PubChem CID 53247789) has the molecular formula C30H36O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is (1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol.

Molecular Properties

Compound Name(1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol
PubChem CID53247789
Molecular FormulaC30H36O3
Molecular Weight444.62 g/mol
Exact Mass444.27
IUPAC Name(1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol
SMILESOCCCCCC[C@@H](O)[C@@H]1C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36O3/c31-21-13-2-1-12-20-29(32)28-22-24(28)23-33-30(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,14-19,24,28-29,31-32H,1-2,12-13,20-23H2/t24-,28+,29+/m0/s1
InChIKeyDBHUKUFBHFORKR-TUMTZTIRSA-N
XLogP5.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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(2S)-6-trityloxyhexane-1,2-diol
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1-trityloxyoctadecan-2-ol
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1,5-ditrityloxypentan-3-ol
CID 140507927
3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol
CID 42631565
4-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(6-hydroxyhexanoyl)pyrrolidin-3-yl]oxy-4-oxobutanoic acid
CID 145481231
1-trityloxytetradecan-3-ol
CID 71342983
(3R)-1-trityloxytetradecan-3-ol
CID 15104977

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol?
The IUPAC name of (1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol (CID 53247789) is (1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol.
What is the SMILES notation for (1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol?
The canonical SMILES for (1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol is OCCCCCC[C@@H](O)[C@@H]1C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol?
The InChIKey is DBHUKUFBHFORKR-TUMTZTIRSA-N. The full InChI is InChI=1S/C30H36O3/c31-21-13-2-1-12-20-29(32)28-22-24(28)23-33-30(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,14-19,24,28-29,31-32H,1-2,12-13,20-23H2/t24-,28+,29+/m0/s1.
What are the key properties of (1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol?
(1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol has a molecular weight of 444.62 g/mol, XLogP of 5.93, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol is sourced from PubChem (CID 53247789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).