25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane

C32H34 — CID 140676171

IUPAC25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane
SMILESCC1C2C3C4C5CC6CC7C8C9C(C)C1(C)C29C81C2C8C9C%10C3C4C%103C5C4C6C71C2C48C93
InChIInChI=1S/C32H34/c1-6-15-12-11-9-4-8-5-10-19-16-7(2)27(6,3)31(15,16)32(19)24-22-14-21-13(12)20(11)28(21)18(9)23-17(8)30(10,32)26(24)29(22,23)25(14)28/h6-26H,4-5H2,1-3H3
InChIKeyYHAHTRBKFVAGRK-UHFFFAOYSA-N
MW418.62 g/mol
LogP4.90
Rot. Bonds

About 25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane

25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane (PubChem CID 140676171) has the molecular formula C32H34 and a molecular weight of 418.62 g/mol. Its IUPAC name is 25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane.

Molecular Properties

Compound Name25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane
PubChem CID140676171
Molecular FormulaC32H34
Molecular Weight418.62 g/mol
Exact Mass418.27
IUPAC Name25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane
SMILESCC1C2C3C4C5CC6CC7C8C9C(C)C1(C)C29C81C2C8C9C%10C3C4C%103C5C4C6C71C2C48C93
InChIInChI=1S/C32H34/c1-6-15-12-11-9-4-8-5-10-19-16-7(2)27(6,3)31(15,16)32(19)24-22-14-21-13(12)20(11)28(21)18(9)23-17(8)30(10,32)26(24)29(22,23)25(14)28/h6-26H,4-5H2,1-3H3
InChIKeyYHAHTRBKFVAGRK-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.62
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane with MolForge

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Related Compounds

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4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
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CID 140616646
CID 140616646
CID 140616644
CID 140616644
8-methyltetracyclo[4.2.0.01,7.02,5]octane
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(1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane
CID 163751027
2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane
CID 123468958
(1S,2S,3R,5S,6R,7S)-3-methyl-4-oxatetracyclo[4.2.1.02,5.03,7]nonane
CID 135048244
3-methyltricyclo[3.2.0.02,7]heptan-3-amine
CID 131861725
(22S,23S,24S,25S,26S,27S,28S,29S,30R,32R,33R,34R,35R,36R,37R)-tetratriacontacyclo[35.1.1.14,36.15,35.16,34.17,33.18,32.19,31.110,30.111,29.112,28.113,27.114,26.115,25.116,24.117,23.118,20.03,39.022,54.039,40.040,41.041,42.042,43.043,44.044,45.045,46.046,47.047,48.048,49.049,50.050,51.051,52.052,53.053,54]tetrapentacontane
CID 59330514
1,2,4,9-tetramethyltetracyclo[6.1.1.02,7.03,6]decane
CID 123168411
decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane
CID 54238278

Frequently Asked Questions

What is the IUPAC name of 25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane?
The IUPAC name of 25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane (CID 140676171) is 25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane.
What is the SMILES notation for 25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane?
The canonical SMILES for 25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane is CC1C2C3C4C5CC6CC7C8C9C(C)C1(C)C29C81C2C8C9C%10C3C4C%103C5C4C6C71C2C48C93.
What is the InChIKey of 25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane?
The InChIKey is YHAHTRBKFVAGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34/c1-6-15-12-11-9-4-8-5-10-19-16-7(2)27(6,3)31(15,16)32(19)24-22-14-21-13(12)20(11)28(21)18(9)23-17(8)30(10,32)26(24)29(22,23)25(14)28/h6-26H,4-5H2,1-3H3.
What are the key properties of 25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane?
25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane has a molecular weight of 418.62 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane is sourced from PubChem (CID 140676171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).