(6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C32H54O4 — CID 5275370

IUPAC(6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCCCCCCCCCCCCCCCCCC1OC2OC(C)(C)OC2[C@@H]1OCc1ccccc1
InChIInChI=1S/C32H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-29(33-26-27-23-20-19-21-24-27)30-31(34-28)36-32(2,3)35-30/h19-21,23-24,28-31H,4-18,22,25-26H2,1-3H3/t28?,29-,30?,31?/m1/s1
InChIKeyKEORGRHLSAVGEA-DZDFRZAMSA-N
MW502.78 g/mol
LogP9.10
Rot. Bonds20

About (6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 5275370) has the molecular formula C32H54O4 and a molecular weight of 502.78 g/mol. Its IUPAC name is (6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID5275370
Molecular FormulaC32H54O4
Molecular Weight502.78 g/mol
Exact Mass502.40
IUPAC Name(6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCCCCCCCCCCCCCCCCCC1OC2OC(C)(C)OC2[C@@H]1OCc1ccccc1
InChIInChI=1S/C32H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-29(33-26-27-23-20-19-21-24-27)30-31(34-28)36-32(2,3)35-30/h19-21,23-24,28-31H,4-18,22,25-26H2,1-3H3/t28?,29-,30?,31?/m1/s1
InChIKeyKEORGRHLSAVGEA-DZDFRZAMSA-N
XLogP9.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.78
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 5275370) is (6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CCCCCCCCCCCCCCCCCCC1OC2OC(C)(C)OC2[C@@H]1OCc1ccccc1.
What is the InChIKey of (6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is KEORGRHLSAVGEA-DZDFRZAMSA-N. The full InChI is InChI=1S/C32H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-29(33-26-27-23-20-19-21-24-27)30-31(34-28)36-32(2,3)35-30/h19-21,23-24,28-31H,4-18,22,25-26H2,1-3H3/t28?,29-,30?,31?/m1/s1.
What are the key properties of (6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 502.78 g/mol, XLogP of 9.10, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,2-dimethyl-5-octadecyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 5275370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).