2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane

C24H38 — CID 123376297

IUPAC2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane
SMILESCCCC1CCC2(C)C3CC4C5C1CC(C)C2(C)C41CC5(C)CC31
InChIInChI=1S/C24H38/c1-6-7-15-8-9-22(4)17-11-18-20-16(15)10-14(2)23(22,5)24(18)13-21(20,3)12-19(17)24/h14-20H,6-13H2,1-5H3
InChIKeySQQPCAZLUZIZBB-UHFFFAOYSA-N
MW326.57 g/mol
LogP6.55
Rot. Bonds2

About 2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane

2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane (PubChem CID 123376297) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is 2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane.

Molecular Properties

Compound Name2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane
PubChem CID123376297
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane
SMILESCCCC1CCC2(C)C3CC4C5C1CC(C)C2(C)C41CC5(C)CC31
InChIInChI=1S/C24H38/c1-6-7-15-8-9-22(4)17-11-18-20-16(15)10-14(2)23(22,5)24(18)13-21(20,3)12-19(17)24/h14-20H,6-13H2,1-5H3
InChIKeySQQPCAZLUZIZBB-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane with MolForge

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Related Compounds

ethene;1,1,2-trimethyl-3-propylcyclopentane
CID 145109296
1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane
CID 123405539
1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane
CID 173039410
(6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine
CID 159111888
1,1,2,5,5-pentamethyl-3-propylcyclohexane
CID 59420056
1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131
1-(2-methylcyclobutyl)-4-propylbicyclo[3.2.2]nonane
CID 163726966
4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;3,8,8,9,9-pentamethyl-5-propyltricyclo[5.2.1.02,6]decane
CID 159252719
ethane;1-methyl-2-propylcyclopropane
CID 144710386
ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene
CID 90869503
2-methyl-1,3-dipropylcyclopentane
CID 90887551
2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane
CID 163492978

Frequently Asked Questions

What is the IUPAC name of 2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane?
The IUPAC name of 2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane (CID 123376297) is 2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane.
What is the SMILES notation for 2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane?
The canonical SMILES for 2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane is CCCC1CCC2(C)C3CC4C5C1CC(C)C2(C)C41CC5(C)CC31.
What is the InChIKey of 2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane?
The InChIKey is SQQPCAZLUZIZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38/c1-6-7-15-8-9-22(4)17-11-18-20-16(15)10-14(2)23(22,5)24(18)13-21(20,3)12-19(17)24/h14-20H,6-13H2,1-5H3.
What are the key properties of 2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane?
2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane has a molecular weight of 326.57 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9,14-tetramethyl-6-propylhexacyclo[12.2.1.01,12.02,9.05,13.010,16]heptadecane is sourced from PubChem (CID 123376297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).