12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane

C30H32 — CID 139053800

IUPAC12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane
SMILESC1CC12C(=C1C(=C3C4(CC4)C34CC4)C3(C4(CC4)C34CC4)C13C1(CC1)C31CC1)C21CC1
InChIInChI=1S/C30H32/c1-2-21(1)19(22(21)3-4-22)17-18(20-23(5-6-23)24(20)7-8-24)30(27(13-14-27)28(30)15-16-28)29(17)25(9-10-25)26(29)11-12-26/h1-16H2
InChIKeyMIRHVEBKRSOREU-UHFFFAOYSA-N
MW392.59 g/mol
LogP6.86
Rot. Bonds

About 12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane

12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane (PubChem CID 139053800) has the molecular formula C30H32 and a molecular weight of 392.59 g/mol. Its IUPAC name is 12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane.

Molecular Properties

Compound Name12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane
PubChem CID139053800
Molecular FormulaC30H32
Molecular Weight392.59 g/mol
Exact Mass392.25
IUPAC Name12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane
SMILESC1CC12C(=C1C(=C3C4(CC4)C34CC4)C3(C4(CC4)C34CC4)C13C1(CC1)C31CC1)C21CC1
InChIInChI=1S/C30H32/c1-2-21(1)19(22(21)3-4-22)17-18(20-23(5-6-23)24(20)7-8-24)30(27(13-14-27)28(30)15-16-28)29(17)25(9-10-25)26(29)11-12-26/h1-16H2
InChIKeyMIRHVEBKRSOREU-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 12706186
12-Hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane
CID 101057423
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CID 134889487
2,4-Dimethyl-6-(2-methylcyclopropylidene)spiro[2.3]hexane
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CID 91245081
2-Cyclopropyl-1-[1-(2,2-dimethylcyclopropylidene)ethyl]-1-methylcyclobutane
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CID 91355583
CID 91355583
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CID 123331112
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CID 123343076
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CID 123398985

Frequently Asked Questions

What is the IUPAC name of 12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane?
The IUPAC name of 12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane (CID 139053800) is 12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane.
What is the SMILES notation for 12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane?
The canonical SMILES for 12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane is C1CC12C(=C1C(=C3C4(CC4)C34CC4)C3(C4(CC4)C34CC4)C13C1(CC1)C31CC1)C21CC1.
What is the InChIKey of 12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane?
The InChIKey is MIRHVEBKRSOREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32/c1-2-21(1)19(22(21)3-4-22)17-18(20-23(5-6-23)24(20)7-8-24)30(27(13-14-27)28(30)15-16-28)29(17)25(9-10-25)26(29)11-12-26/h1-16H2.
What are the key properties of 12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane?
12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane has a molecular weight of 392.59 g/mol, XLogP of 6.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,13-di(dispiro[2.0.24.13]heptan-7-ylidene)hexaspiro[2.0.0.0.26.0.29.05.24.0.214.03]hexadecane is sourced from PubChem (CID 139053800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).