1,3,5,7-tetra(propan-2-yl)adamantane

C22H40 — CID 11381171

IUPAC1,3,5,7-tetra(propan-2-yl)adamantane
SMILESCC(C)C12CC3(C(C)C)CC(C(C)C)(C1)CC(C(C)C)(C2)C3
InChIInChI=1S/C22H40/c1-15(2)19-9-20(16(3)4)12-21(10-19,17(5)6)14-22(11-19,13-20)18(7)8/h15-18H,9-14H2,1-8H3
InChIKeyPYSKLPWSFWJSDJ-UHFFFAOYSA-N
MW304.56 g/mol
LogP6.94
Rot. Bonds4

About 1,3,5,7-tetra(propan-2-yl)adamantane

1,3,5,7-tetra(propan-2-yl)adamantane (PubChem CID 11381171) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1,3,5,7-tetra(propan-2-yl)adamantane.

Molecular Properties

Compound Name1,3,5,7-tetra(propan-2-yl)adamantane
PubChem CID11381171
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1,3,5,7-tetra(propan-2-yl)adamantane
SMILESCC(C)C12CC3(C(C)C)CC(C(C)C)(C1)CC(C(C)C)(C2)C3
InChIInChI=1S/C22H40/c1-15(2)19-9-20(16(3)4)12-21(10-19,17(5)6)14-22(11-19,13-20)18(7)8/h15-18H,9-14H2,1-8H3
InChIKeyPYSKLPWSFWJSDJ-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine
CID 138747101
1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanol
CID 176865139
1,4-di(propan-2-yl)bicyclo[2.2.1]heptane;1,4-di(propan-2-yl)bicyclo[2.2.2]octane
CID 159542444
2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;tetrakis(2-methylpropane);1,3,5,7-tetra(propan-2-yl)adamantane
CID 158278227
1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone
CID 167326775
3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 134598960
1-methyl-3-propan-2-ylbicyclo[1.1.0]butane
CID 123793807
1,5-di(propan-2-yl)bicyclo[3.3.3]undecane
CID 177092419
1-bromo-3,5-di(propan-2-yl)adamantane
CID 22763947
1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane
CID 167326750
1-methyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
CID 134166265
1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane
CID 167531805

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetra(propan-2-yl)adamantane?
The IUPAC name of 1,3,5,7-tetra(propan-2-yl)adamantane (CID 11381171) is 1,3,5,7-tetra(propan-2-yl)adamantane.
What is the SMILES notation for 1,3,5,7-tetra(propan-2-yl)adamantane?
The canonical SMILES for 1,3,5,7-tetra(propan-2-yl)adamantane is CC(C)C12CC3(C(C)C)CC(C(C)C)(C1)CC(C(C)C)(C2)C3.
What is the InChIKey of 1,3,5,7-tetra(propan-2-yl)adamantane?
The InChIKey is PYSKLPWSFWJSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-15(2)19-9-20(16(3)4)12-21(10-19,17(5)6)14-22(11-19,13-20)18(7)8/h15-18H,9-14H2,1-8H3.
What are the key properties of 1,3,5,7-tetra(propan-2-yl)adamantane?
1,3,5,7-tetra(propan-2-yl)adamantane has a molecular weight of 304.56 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetra(propan-2-yl)adamantane is sourced from PubChem (CID 11381171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).