2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane

C38H58 — CID 58453423

IUPAC2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane
SMILESCC1C(C)C2C(C)C3C(C)C4C(C)C5C(C)C(C)C6C(C)C7C(C)C8C(C)C1C1C2C3C2C4C5C6C7C2C81
InChIInChI=1S/C38H58/c1-11-12(2)22-16(6)26-20(10)28-18(8)24-14(4)13(3)23-17(7)27-19(9)25-15(5)21(11)29-30(22)34(26)38-36(28)32(24)31(23)35(27)37(38)33(25)29/h11-38H,1-10H3
InChIKeyLASGGJHDVWGXNM-UHFFFAOYSA-N
MW514.88 g/mol
LogP8.57
Rot. Bonds

About 2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane

2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane (PubChem CID 58453423) has the molecular formula C38H58 and a molecular weight of 514.88 g/mol. Its IUPAC name is 2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane.

Molecular Properties

Compound Name2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane
PubChem CID58453423
Molecular FormulaC38H58
Molecular Weight514.88 g/mol
Exact Mass514.45
IUPAC Name2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane
SMILESCC1C(C)C2C(C)C3C(C)C4C(C)C5C(C)C(C)C6C(C)C7C(C)C8C(C)C1C1C2C3C2C4C5C6C7C2C81
InChIInChI=1S/C38H58/c1-11-12(2)22-16(6)26-20(10)28-18(8)24-14(4)13(3)23-17(7)27-19(9)25-15(5)21(11)29-30(22)34(26)38-36(28)32(24)31(23)35(27)37(38)33(25)29/h11-38H,1-10H3
InChIKeyLASGGJHDVWGXNM-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.88
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane with MolForge

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Related Compounds

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CID 91229213
(2R,3S,5R,6R)-2,3,5,6-tetramethylbicyclo[2.2.0]hexane
CID 123730639
(1R,2R,3S,4S,4aS,4bR,5R,6R,7S,8S,8aR,9R,10S,10aS)-1,2,3,4,5,6,7,8,9,10-decamethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 91281388
(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
CID 58241652
2,4,6,8,9,10-hexamethyladamantane
CID 58325503
1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane
CID 162270471
19,20-dimethylnonadecacyclo[36.2.0.02,37.03,36.04,35.05,34.06,33.07,32.08,31.09,30.010,29.011,28.012,27.013,26.014,25.015,24.016,23.017,22.018,21]tetracontane
CID 59256890
17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane
CID 59256891
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CID 123596860
3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane
CID 123828648
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136

Frequently Asked Questions

What is the IUPAC name of 2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane?
The IUPAC name of 2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane (CID 58453423) is 2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane.
What is the SMILES notation for 2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane?
The canonical SMILES for 2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane is CC1C(C)C2C(C)C3C(C)C4C(C)C5C(C)C(C)C6C(C)C7C(C)C8C(C)C1C1C2C3C2C4C5C6C7C2C81.
What is the InChIKey of 2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane?
The InChIKey is LASGGJHDVWGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58/c1-11-12(2)22-16(6)26-20(10)28-18(8)24-14(4)13(3)23-17(7)27-19(9)25-15(5)21(11)29-30(22)34(26)38-36(28)32(24)31(23)35(27)37(38)33(25)29/h11-38H,1-10H3.
What are the key properties of 2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane?
2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane has a molecular weight of 514.88 g/mol, XLogP of 8.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane is sourced from PubChem (CID 58453423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).