6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)

C32H40O6 — CID 5051546

IUPAC—
SMILESc1ccc(COC2C3OC4(CCCCC4)OC3C(OCc3ccccc3)C3OC4(CCCCC4)OC23)cc1
InChIInChI=1S/C32H40O6/c1-5-13-23(14-6-1)21-33-25-27-29(37-31(35-27)17-9-3-10-18-31)26(34-22-24-15-7-2-8-16-24)30-28(25)36-32(38-30)19-11-4-12-20-32/h1-2,5-8,13-16,25-30H,3-4,9-12,17-22H2
InChIKeyNRSYUFCSJIOJAQ-UHFFFAOYSA-N
MW520.67 g/mol
LogP6.06
Rot. Bonds6

About 6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)

6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane) (PubChem CID 5051546) has the molecular formula C32H40O6 and a molecular weight of 520.67 g/mol.

Molecular Properties

Compound Name6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
PubChem CID5051546
Molecular FormulaC32H40O6
Molecular Weight520.67 g/mol
Exact Mass520.28
IUPAC Name—
SMILESc1ccc(COC2C3OC4(CCCCC4)OC3C(OCc3ccccc3)C3OC4(CCCCC4)OC23)cc1
InChIInChI=1S/C32H40O6/c1-5-13-23(14-6-1)21-33-25-27-29(37-31(35-27)17-9-3-10-18-31)26(34-22-24-15-7-2-8-16-24)30-28(25)36-32(38-30)19-11-4-12-20-32/h1-2,5-8,13-16,25-30H,3-4,9-12,17-22H2
InChIKeyNRSYUFCSJIOJAQ-UHFFFAOYSA-N
XLogP6.06
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane) with MolForge

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Related Compounds

CID 3257099
CID 3257099
(3aS,4R,5S,6S,7R,7aR)-4-phenylmethoxy-5,6,7-tris(prop-2-enoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]
CID 11070711
(3aR,4S,5S,6R,7S,7aS)-6-phenylmethoxy-4,7-bis(prop-2-enoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ol
CID 14077537
(3aR,4S,5R,6Z,7aR)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethylidene)spiro[4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]
CID 10839860
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-phenylmethoxy-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 14409479
(3aR,4R,5R,6S,7R,7aR)-2,2-dimethyl-4,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 10715972
(1S)-2-[(6S,7aR)-4,6,7-tris(phenylmethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-yl]oxy-1-[(1R,7S)-3,3,7-trimethyl-2-oxaspiro[3.3]heptan-1-yl]ethanamine
CID 163497532
(3aS,4S,5R,6S,7S,7aR)-5-[(4-methoxyphenyl)methoxy]-4,6,7-tris(prop-2-enoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]
CID 10553454
(1R,2S,3S,7R,8S,9R)-11,11-dimethyl-2,8-bis(phenylmethoxy)-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-5-thione
CID 10623070
CID 98046413
CID 98046413
(4S,5S,7aR)-2,2-dimethyl-4,5,7-tris(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
CID 71094798

Frequently Asked Questions

What is the IUPAC name of 6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)?
The IUPAC name of 6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane) (CID 5051546) is not available.
What is the SMILES notation for 6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)?
The canonical SMILES for 6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane) is c1ccc(COC2C3OC4(CCCCC4)OC3C(OCc3ccccc3)C3OC4(CCCCC4)OC23)cc1.
What is the InChIKey of 6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)?
The InChIKey is NRSYUFCSJIOJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O6/c1-5-13-23(14-6-1)21-33-25-27-29(37-31(35-27)17-9-3-10-18-31)26(34-22-24-15-7-2-8-16-24)30-28(25)36-32(38-30)19-11-4-12-20-32/h1-2,5-8,13-16,25-30H,3-4,9-12,17-22H2.
What are the key properties of 6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)?
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane) has a molecular weight of 520.67 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane) is sourced from PubChem (CID 5051546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).