methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate

C25H36O2 — CID 139120592

IUPACmethyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC12C1(CCC1)C1(CCC1)C1(CCC1)C1(CCC1)C21CCC1
InChIInChI=1S/C25H36O2/c1-27-19(26)18-17-25(18)23(13-5-14-23)21(9-3-10-21)20(7-2-8-20)22(11-4-12-22)24(25)15-6-16-24/h18H,2-17H2,1H3/t18-/m0/s1
InChIKeyIRDVBMVOWHHRBZ-SFHVURJKSA-N
MW368.56 g/mol
LogP6.03
Rot. Bonds1

About methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate

methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate (PubChem CID 139120592) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate
PubChem CID139120592
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Namemethyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC12C1(CCC1)C1(CCC1)C1(CCC1)C1(CCC1)C21CCC1
InChIInChI=1S/C25H36O2/c1-27-19(26)18-17-25(18)23(13-5-14-23)21(9-3-10-21)20(7-2-8-20)22(11-4-12-22)24(25)15-6-16-24/h18H,2-17H2,1H3/t18-/m0/s1
InChIKeyIRDVBMVOWHHRBZ-SFHVURJKSA-N
XLogP6.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate with MolForge

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Related Compounds

methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
methyl tricyclo[4.2.2.01,6]decane-7-carboxylate
CID 12702214
methyl 6-azaspiro[3.4]octane-8-carboxylate
CID 86811534
methyl 8-hydroxyspiro[2.5]octane-2-carboxylate
CID 105441117
cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate
CID 11298222
2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid
CID 82598117
methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
CID 124705910
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
trans-methyl (1R,2R)-2-amino-2-methylcyclohexane-1-carboxylate
CID 96839903
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
methyl 1-oxaspiro[2.3]hexane-2-carboxylate
CID 81251349
methyl (1S,2R,4R)-1,4-dimethyl-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 130969152

Frequently Asked Questions

What is the IUPAC name of methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate?
The IUPAC name of methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate (CID 139120592) is methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate.
What is the SMILES notation for methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate?
The canonical SMILES for methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate is COC(=O)[C@@H]1CC12C1(CCC1)C1(CCC1)C1(CCC1)C1(CCC1)C21CCC1.
What is the InChIKey of methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate?
The InChIKey is IRDVBMVOWHHRBZ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H36O2/c1-27-19(26)18-17-25(18)23(13-5-14-23)21(9-3-10-21)20(7-2-8-20)22(11-4-12-22)24(25)15-6-16-24/h18H,2-17H2,1H3/t18-/m0/s1.
What are the key properties of methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate?
methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate has a molecular weight of 368.56 g/mol, XLogP of 6.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate is sourced from PubChem (CID 139120592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).