3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane

C31H48 — CID 145275266

IUPAC3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
SMILESCC1(C)C2(C)C(C)(C)C3(C)C4(C)C5(C)C(C)(C)C6(C)C(C)(C)C7(C)C8(C)C1(C)C23C84C675
InChIInChI=1S/C31H48/c1-17(2)21(9)18(3,4)24(12)28(16)26(14)20(7,8)22(10)19(5,6)25(13)27(15)23(17,11)29(21,24)31(27,28)30(22,25)26/h1-16H3
InChIKeyOTKXIDXJKHFISJ-UHFFFAOYSA-N
MW420.73 g/mol
LogP8.21
Rot. Bonds

About 3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane

3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane (PubChem CID 145275266) has the molecular formula C31H48 and a molecular weight of 420.73 g/mol. Its IUPAC name is 3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane.

Molecular Properties

Compound Name3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
PubChem CID145275266
Molecular FormulaC31H48
Molecular Weight420.73 g/mol
Exact Mass420.38
IUPAC Name3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
SMILESCC1(C)C2(C)C(C)(C)C3(C)C4(C)C5(C)C(C)(C)C6(C)C(C)(C)C7(C)C8(C)C1(C)C23C84C675
InChIInChI=1S/C31H48/c1-17(2)21(9)18(3,4)24(12)28(16)26(14)20(7,8)22(10)19(5,6)25(13)27(15)23(17,11)29(21,24)31(27,28)30(22,25)26/h1-16H3
InChIKeyOTKXIDXJKHFISJ-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.73
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane?
The IUPAC name of 3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane (CID 145275266) is 3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane.
What is the SMILES notation for 3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane?
The canonical SMILES for 3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane is CC1(C)C2(C)C(C)(C)C3(C)C4(C)C5(C)C(C)(C)C6(C)C(C)(C)C7(C)C8(C)C1(C)C23C84C675.
What is the InChIKey of 3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane?
The InChIKey is OTKXIDXJKHFISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48/c1-17(2)21(9)18(3,4)24(12)28(16)26(14)20(7,8)22(10)19(5,6)25(13)27(15)23(17,11)29(21,24)31(27,28)30(22,25)26/h1-16H3.
What are the key properties of 3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane?
3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane has a molecular weight of 420.73 g/mol, XLogP of 8.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,6,6,7,8,9,10,10,11,12,12,13,14-hexadecamethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane is sourced from PubChem (CID 145275266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).